(NE,S)-4-methyl-N-propylidenebenzenesulfinamide

C10H13NOS — CID 11095545

IUPAC(NE,S)-4-methyl-N-propylidenebenzenesulfinamide
SMILESCC/C=N/[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NOS/c1-3-8-11-13(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b11-8+/t13-/m0/s1
InChIKeyHQAYHCNFFJGTEZ-YKWSONSWSA-N
MW195.29 g/mol
LogP2.50
Rot. Bonds3

About (NE,S)-4-methyl-N-propylidenebenzenesulfinamide

(NE,S)-4-methyl-N-propylidenebenzenesulfinamide (PubChem CID 11095545) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (NE,S)-4-methyl-N-propylidenebenzenesulfinamide.

Molecular Properties

Compound Name(NE,S)-4-methyl-N-propylidenebenzenesulfinamide
PubChem CID11095545
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(NE,S)-4-methyl-N-propylidenebenzenesulfinamide
SMILESCC/C=N/[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NOS/c1-3-8-11-13(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b11-8+/t13-/m0/s1
InChIKeyHQAYHCNFFJGTEZ-YKWSONSWSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.50
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-(2-phenylethylidene)benzenesulfinamide
CID 10563115
(NE)-4-methyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propylidene]benzenesulfinamide
CID 177459495
(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
(NE)-N-[[(3S,5S)-3,5-dimethylcyclohexyl]methylidene]-4-methylbenzenesulfinamide
CID 156779342
(NE)-4-methyl-N-[(4-nitrophenyl)methylidene]benzenesulfinamide
CID 15263571
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide
CID 177454051
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
N,N-diethyl-4-methylbenzenesulfinamide
CID 10798558
(NE,S)-4-methyl-N-(3-methylbutan-2-ylidene)benzenesulfinamide
CID 135085740
(R)-4-methylbenzenesulfinyl chloride
CID 98048897

Frequently Asked Questions

What is the IUPAC name of (NE,S)-4-methyl-N-propylidenebenzenesulfinamide?
The IUPAC name of (NE,S)-4-methyl-N-propylidenebenzenesulfinamide (CID 11095545) is (NE,S)-4-methyl-N-propylidenebenzenesulfinamide.
What is the SMILES notation for (NE,S)-4-methyl-N-propylidenebenzenesulfinamide?
The canonical SMILES for (NE,S)-4-methyl-N-propylidenebenzenesulfinamide is CC/C=N/[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (NE,S)-4-methyl-N-propylidenebenzenesulfinamide?
The InChIKey is HQAYHCNFFJGTEZ-YKWSONSWSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-8-11-13(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b11-8+/t13-/m0/s1.
What are the key properties of (NE,S)-4-methyl-N-propylidenebenzenesulfinamide?
(NE,S)-4-methyl-N-propylidenebenzenesulfinamide has a molecular weight of 195.29 g/mol, XLogP of 2.50, 3 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-propylidenebenzenesulfinamide is sourced from PubChem (CID 11095545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).