(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide

C15H15NOS — CID 10563115

IUPAC(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide
SMILESCc1ccc([S@](=O)/N=C/Cc2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c1-13-7-9-15(10-8-13)18(17)16-12-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/b16-12+/t18-/m0/s1
InChIKeyUQSNGRRUDQIWKY-QIPRVMPFSA-N
MW257.36 g/mol
LogP3.33
Rot. Bonds4

About (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide

(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide (PubChem CID 10563115) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide.

Molecular Properties

Compound Name(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide
PubChem CID10563115
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide
SMILESCc1ccc([S@](=O)/N=C/Cc2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c1-13-7-9-15(10-8-13)18(17)16-12-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/b16-12+/t18-/m0/s1
InChIKeyUQSNGRRUDQIWKY-QIPRVMPFSA-N
XLogP3.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,S)-4-methyl-N-propylidenebenzenesulfinamide
CID 11095545
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine
CID 139964738
(NE,S)-N-[[4,5-dimethoxy-2-(2-phenylmethoxyethyl)phenyl]methylidene]-4-methylbenzenesulfinamide
CID 10961113
(NE)-4-methyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propylidene]benzenesulfinamide
CID 177459495
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
1-methyl-4-(2-sulfonylethyl)benzene
CID 57223053
(NZ)-4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfinamide
CID 87452018
(NE,S)-4-methyl-N-[5-(2-methyl-1,3-dioxolan-2-yl)pentylidene]benzenesulfinamide
CID 11415634
1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene
CID 40513050
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide
CID 177454051

Frequently Asked Questions

What is the IUPAC name of (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide?
The IUPAC name of (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide (CID 10563115) is (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide.
What is the SMILES notation for (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide?
The canonical SMILES for (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide is Cc1ccc([S@](=O)/N=C/Cc2ccccc2)cc1.
What is the InChIKey of (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide?
The InChIKey is UQSNGRRUDQIWKY-QIPRVMPFSA-N. The full InChI is InChI=1S/C15H15NOS/c1-13-7-9-15(10-8-13)18(17)16-12-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/b16-12+/t18-/m0/s1.
What are the key properties of (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide?
(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide has a molecular weight of 257.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide is sourced from PubChem (CID 10563115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).