methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane

C17H19NOS — CID 10493393

IUPACmethylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
SMILESC/C=C(\CS(=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-15(16-10-6-4-7-11-16)14-20(19,18-2)17-12-8-5-9-13-17/h3-13H,14H2,1-2H3/b15-3+
InChIKeyVUQNPOBAUCCXDR-CRKCGEKBSA-N
MW285.41 g/mol
LogP4.25
Rot. Bonds4

About methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane

methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane (PubChem CID 10493393) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane.

Molecular Properties

Compound Namemethylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
PubChem CID10493393
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Namemethylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
SMILESC/C=C(\CS(=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-15(16-10-6-4-7-11-16)14-20(19,18-2)17-12-8-5-9-13-17/h3-13H,14H2,1-2H3/b15-3+
InChIKeyVUQNPOBAUCCXDR-CRKCGEKBSA-N
XLogP4.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10823803
fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 14117219
2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol
CID 25037771
[(E)-4,4-dimethylpent-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 101351722
[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10683958
(2R,3aR,4S,6aR)-4-methyl-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 95565761
(2R,3aR,4S,6aR)-4-methyl-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 98173761
1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
CID 25041032
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
4-phenylhex-4-enoic acid
CID 67746450
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
CID 10515054

Frequently Asked Questions

What is the IUPAC name of methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane?
The IUPAC name of methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane (CID 10493393) is methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane.
What is the SMILES notation for methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane?
The canonical SMILES for methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane is C/C=C(\CS(=O)(=NC)c1ccccc1)c1ccccc1.
What is the InChIKey of methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane?
The InChIKey is VUQNPOBAUCCXDR-CRKCGEKBSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-15(16-10-6-4-7-11-16)14-20(19,18-2)17-12-8-5-9-13-17/h3-13H,14H2,1-2H3/b15-3+.
What are the key properties of methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane?
methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane has a molecular weight of 285.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane is sourced from PubChem (CID 10493393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).