N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride

C13H27ClN2O3S — CID 119601555

IUPACN-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
SMILESCCCCCS(=O)(=O)CC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-2-3-4-8-19(17,18)10-13(16)15-12-7-5-6-11(12)9-14;/h11-12H,2-10,14H2,1H3,(H,15,16);1H
InChIKeyPRVXDRJQLWGBCT-UHFFFAOYSA-N
MW326.89 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride (PubChem CID 119601555) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
PubChem CID119601555
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
SMILESCCCCCS(=O)(=O)CC(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-2-3-4-8-19(17,18)10-13(16)15-12-7-5-6-11(12)9-14;/h11-12H,2-10,14H2,1H3,(H,15,16);1H
InChIKeyPRVXDRJQLWGBCT-UHFFFAOYSA-N
XLogP1.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride 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-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride
CID 120577037
N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119601349
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119602359
N-[2-(aminomethyl)cyclopentyl]-3-ethylheptanamide;hydrochloride
CID 119602350
N'-[2-(aminomethyl)cyclopentyl]-N-propylbutanediamide;hydrochloride
CID 119604127
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119601319
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
CID 120556023
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride (CID 119601555) is N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride is CCCCCS(=O)(=O)CC(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride?
The InChIKey is PRVXDRJQLWGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c1-2-3-4-8-19(17,18)10-13(16)15-12-7-5-6-11(12)9-14;/h11-12H,2-10,14H2,1H3,(H,15,16);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119601555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).