N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide

C15H22N2O2S — CID 81333278

IUPACN-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
SMILESNCc1cccc(NC(=O)CCS(=O)C2CCCC2)c1
InChIInChI=1S/C15H22N2O2S/c16-11-12-4-3-5-13(10-12)17-15(18)8-9-20(19)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,16H2,(H,17,18)
InChIKeyXSIQGMLIEKJCAT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.17
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide

N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide (PubChem CID 81333278) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
PubChem CID81333278
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
SMILESNCc1cccc(NC(=O)CCS(=O)C2CCCC2)c1
InChIInChI=1S/C15H22N2O2S/c16-11-12-4-3-5-13(10-12)17-15(18)8-9-20(19)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,16H2,(H,17,18)
InChIKeyXSIQGMLIEKJCAT-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide 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-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767041
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
[3-(cyclopentylsulfinylmethyl)phenyl]methanamine
CID 81333401
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide (CID 81333278) is N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide is NCc1cccc(NC(=O)CCS(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide?
The InChIKey is XSIQGMLIEKJCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-11-12-4-3-5-13(10-12)17-15(18)8-9-20(19)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,16H2,(H,17,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide?
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide is sourced from PubChem (CID 81333278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).