N-ethylidene-2-methylbenzenesulfinamide

C9H11NOS — CID 57029137

IUPACN-ethylidene-2-methylbenzenesulfinamide
SMILESCC=NS(=O)c1ccccc1C
InChIInChI=1S/C9H11NOS/c1-3-10-12(11)9-7-5-4-6-8(9)2/h3-7H,1-2H3
InChIKeyJWSAWAFRLSVEEM-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.11
Rot. Bonds2

About N-ethylidene-2-methylbenzenesulfinamide

N-ethylidene-2-methylbenzenesulfinamide (PubChem CID 57029137) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-ethylidene-2-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-ethylidene-2-methylbenzenesulfinamide
PubChem CID57029137
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-ethylidene-2-methylbenzenesulfinamide
SMILESCC=NS(=O)c1ccccc1C
InChIInChI=1S/C9H11NOS/c1-3-10-12(11)9-7-5-4-6-8(9)2/h3-7H,1-2H3
InChIKeyJWSAWAFRLSVEEM-UHFFFAOYSA-N
XLogP2.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.11
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

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2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
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(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
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N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)-N-(2-methylphenyl)sulfinylformamide
CID 166937653
1,2-xylene
CID 173422016
1-(2-methylphenyl)sulfinylbutan-2-one
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1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
3-(2-methylphenyl)sulfinylpropanoic acid
CID 61303171
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-1-methyl-1-(2-methylphenyl)sulfinylurea
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Frequently Asked Questions

What is the IUPAC name of N-ethylidene-2-methylbenzenesulfinamide?
The IUPAC name of N-ethylidene-2-methylbenzenesulfinamide (CID 57029137) is N-ethylidene-2-methylbenzenesulfinamide.
What is the SMILES notation for N-ethylidene-2-methylbenzenesulfinamide?
The canonical SMILES for N-ethylidene-2-methylbenzenesulfinamide is CC=NS(=O)c1ccccc1C.
What is the InChIKey of N-ethylidene-2-methylbenzenesulfinamide?
The InChIKey is JWSAWAFRLSVEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-3-10-12(11)9-7-5-4-6-8(9)2/h3-7H,1-2H3.
What are the key properties of N-ethylidene-2-methylbenzenesulfinamide?
N-ethylidene-2-methylbenzenesulfinamide has a molecular weight of 181.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-2-methylbenzenesulfinamide is sourced from PubChem (CID 57029137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).