N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide

C15H22N2O2S — CID 62720473

IUPACN-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
SMILESCC1CCCC(S(=O)CC(=O)Nc2ccccc2N)C1
InChIInChI=1S/C15H22N2O2S/c1-11-5-4-6-12(9-11)20(19)10-15(18)17-14-8-3-2-7-13(14)16/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3,(H,17,18)
InChIKeyAUFUXQGPHGBLJW-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds4

About N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide

N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide (PubChem CID 62720473) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
PubChem CID62720473
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
SMILESCC1CCCC(S(=O)CC(=O)Nc2ccccc2N)C1
InChIInChI=1S/C15H22N2O2S/c1-11-5-4-6-12(9-11)20(19)10-15(18)17-14-8-3-2-7-13(14)16/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3,(H,17,18)
InChIKeyAUFUXQGPHGBLJW-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
CID 61286420
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide
CID 63115433
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide (CID 62720473) is N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide is CC1CCCC(S(=O)CC(=O)Nc2ccccc2N)C1.
What is the InChIKey of N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide?
The InChIKey is AUFUXQGPHGBLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-5-4-6-12(9-11)20(19)10-15(18)17-14-8-3-2-7-13(14)16/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide?
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide is sourced from PubChem (CID 62720473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).