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

C13H19NOS — CID 10823803

IUPAC[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
SMILESC/C=C(/CC)CS(=O)(=NC)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-12(5-2)11-16(15,14-3)13-9-7-6-8-10-13/h4,6-10H,5,11H2,1-3H3/b12-4-
InChIKeyZTYVGBIHGPEZAE-QCDXTXTGSA-N
MW237.37 g/mol
LogP3.50
Rot. Bonds4

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

[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane (PubChem CID 10823803) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
PubChem CID10823803
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
SMILESC/C=C(/CC)CS(=O)(=NC)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-12(5-2)11-16(15,14-3)13-9-7-6-8-10-13/h4,6-10H,5,11H2,1-3H3/b12-4-
InChIKeyZTYVGBIHGPEZAE-QCDXTXTGSA-N
XLogP3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
CID 10493393
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
1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
CID 25041032
[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10683958
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane
CID 122208778
benzenesulfonic acid;propanoic acid
CID 6713682
(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
(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
CID 10515054

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
The IUPAC name of [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane (CID 10823803) is [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
The canonical SMILES for [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane is C/C=C(/CC)CS(=O)(=NC)c1ccccc1.
What is the InChIKey of [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
The InChIKey is ZTYVGBIHGPEZAE-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-12(5-2)11-16(15,14-3)13-9-7-6-8-10-13/h4,6-10H,5,11H2,1-3H3/b12-4-.
What are the key properties of [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane?
[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane has a molecular weight of 237.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 10823803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).