N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C17H25ClN4O4S — CID 119565139

IUPACN-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCC1
InChIInChI=1S/C17H24N4O4S.ClH/c18-11-17(6-1-2-7-17)20-16(23)12-8-15(22)21(10-12)13-4-3-5-14(9-13)26(19,24)25;/h3-5,9,12H,1-2,6-8,10-11,18H2,(H,20,23)(H2,19,24,25);1H
InChIKeyZJIBAYOBCUMJPA-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.50
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119565139) has the molecular formula C17H25ClN4O4S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119565139
Molecular FormulaC17H25ClN4O4S
Molecular Weight416.93 g/mol
Exact Mass416.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCC1
InChIInChI=1S/C17H24N4O4S.ClH/c18-11-17(6-1-2-7-17)20-16(23)12-8-15(22)21(10-12)13-4-3-5-14(9-13)26(19,24)25;/h3-5,9,12H,1-2,6-8,10-11,18H2,(H,20,23)(H2,19,24,25);1H
InChIKeyZJIBAYOBCUMJPA-UHFFFAOYSA-N
XLogP0.50
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;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-[3-(methylamino)propyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119429878
N-[1-(aminomethyl)cyclopentyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566358
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119565864
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119567430
2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249569
5-oxo-N-(2-piperazin-1-ylethyl)-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 119445191
N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566446
N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120599023
3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119377534
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125119424
3-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 119409588

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119565139) is N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.NCC1(NC(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZJIBAYOBCUMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S.ClH/c18-11-17(6-1-2-7-17)20-16(23)12-8-15(22)21(10-12)13-4-3-5-14(9-13)26(19,24)25;/h3-5,9,12H,1-2,6-8,10-11,18H2,(H,20,23)(H2,19,24,25);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119565139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).