N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide

C16H24N2O2S — CID 81333991

IUPACN-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
SMILESNCc1cccc(NC(=O)CCCS(=O)C2CCCC2)c1
InChIInChI=1S/C16H24N2O2S/c17-12-13-5-3-6-14(11-13)18-16(19)9-4-10-21(20)15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,17H2,(H,18,19)
InChIKeyCDLBOHKUHNWFBJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.56
Rot. Bonds7

About N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide

N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide (PubChem CID 81333991) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
PubChem CID81333991
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
SMILESNCc1cccc(NC(=O)CCCS(=O)C2CCCC2)c1
InChIInChI=1S/C16H24N2O2S/c17-12-13-5-3-6-14(11-13)18-16(19)9-4-10-21(20)15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,17H2,(H,18,19)
InChIKeyCDLBOHKUHNWFBJ-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide 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]-3-cyclopentylsulfinylpropanamide
CID 81333278
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide
CID 81329533
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide (CID 81333991) is N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide is NCc1cccc(NC(=O)CCCS(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide?
The InChIKey is CDLBOHKUHNWFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c17-12-13-5-3-6-14(11-13)18-16(19)9-4-10-21(20)15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,17H2,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide?
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide has a molecular weight of 308.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide is sourced from PubChem (CID 81333991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).