N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C17H25ClN4O4S — CID 120599023

IUPACN-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCN1.Cl
InChIInChI=1S/C17H24N4O4S.ClH/c1-11-7-13(5-6-19-11)20-17(23)12-8-16(22)21(10-12)14-3-2-4-15(9-14)26(18,24)25;/h2-4,9,11-13,19H,5-8,10H2,1H3,(H,20,23)(H2,18,24,25);1H
InChIKeyAQMSFOQJPNMEMK-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.37
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120599023) has the molecular formula C17H25ClN4O4S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120599023
Molecular FormulaC17H25ClN4O4S
Molecular Weight416.93 g/mol
Exact Mass416.13
IUPAC NameN-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCN1.Cl
InChIInChI=1S/C17H24N4O4S.ClH/c1-11-7-13(5-6-19-11)20-17(23)12-8-16(22)21(10-12)14-3-2-4-15(9-14)26(18,24)25;/h2-4,9,11-13,19H,5-8,10H2,1H3,(H,20,23)(H2,18,24,25);1H
InChIKeyAQMSFOQJPNMEMK-UHFFFAOYSA-N
XLogP0.37
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600240
3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119576619
N-[3-(methylamino)propyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119429878
3-[(4R)-4-[(2S)-2-methylpiperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125118581
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]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119565139
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
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
3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119377534
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120599023) is N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride is CC1CC(NC(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AQMSFOQJPNMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S.ClH/c1-11-7-13(5-6-19-11)20-17(23)12-8-16(22)21(10-12)14-3-2-4-15(9-14)26(18,24)25;/h2-4,9,11-13,19H,5-8,10H2,1H3,(H,20,23)(H2,18,24,25);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120599023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).