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

C16H24N2O2S — CID 62722453

IUPACN-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide
SMILESCC1CCCC(S(=O)C(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C16H24N2O2S/c1-11-5-3-8-15(9-11)21(20)12(2)16(19)18-14-7-4-6-13(17)10-14/h4,6-7,10-12,15H,3,5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyDSSZPLDMFCSYSE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.92
Rot. Bonds4

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

N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide (PubChem CID 62722453) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide
PubChem CID62722453
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide
SMILESCC1CCCC(S(=O)C(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C16H24N2O2S/c1-11-5-3-8-15(9-11)21(20)12(2)16(19)18-14-7-4-6-13(17)10-14/h4,6-7,10-12,15H,3,5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyDSSZPLDMFCSYSE-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide 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-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
CID 64730380
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
1-(3-chlorophenyl)-2-(3-methylcyclohexyl)sulfinylpropan-1-one
CID 64635686
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
CID 61303594
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide (CID 62722453) is N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide is CC1CCCC(S(=O)C(C)C(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide?
The InChIKey is DSSZPLDMFCSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-5-3-8-15(9-11)21(20)12(2)16(19)18-14-7-4-6-13(17)10-14/h4,6-7,10-12,15H,3,5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide?
N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide is sourced from PubChem (CID 62722453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).