Molecule FYI-1016147

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Molecule Summary:

ID: FYI-1016147
Names:
InChIKey: JHQRXBPSJKWMKP-UHFFFAOYSA-N
SMILES: CC(C)CCNS(C)=O

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016147 Edit

Molecule Structure InChIKey: JHQRXBPSJKWMKP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCNS(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016147
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016147-3D
FYIcenter.com

 24 23  0     1  0  0  0  0  0999 V2000
    2.6677    0.0863    0.4730 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.9011    1.4624   -0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909   -0.5726    0.0643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5891    0.0610    0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2575   -0.6554   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0281    0.1661    0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171    1.3877   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7619   -0.8529   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5939   -1.0826   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453    0.2688    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061   -0.9016   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428   -1.6100    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136    1.1160   -0.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    0.3875    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654    1.2523   -1.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119    1.8222   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918    2.1234   -0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7654   -1.0882   -1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7174   -0.3772    0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7077   -1.7955    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -1.5584    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6567   -0.8389   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -2.1021   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2806   -0.9995   -1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
$$$$

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