1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide

C12H18N4O3S — CID 79896461

IUPAC1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(N2CCCC2C(N)=O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N4O3S/c1-7-10(16-4-2-3-9(16)12(14)17)5-8(13)6-11(7)20(15,18)19/h5-6,9H,2-4,13H2,1H3,(H2,14,17)(H2,15,18,19)
InChIKeyQWNKNXFDTITBIH-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.32
Rot. Bonds3

About 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide

1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide (PubChem CID 79896461) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
PubChem CID79896461
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(N2CCCC2C(N)=O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N4O3S/c1-7-10(16-4-2-3-9(16)12(14)17)5-8(13)6-11(7)20(15,18)19/h5-6,9H,2-4,13H2,1H3,(H2,14,17)(H2,15,18,19)
InChIKeyQWNKNXFDTITBIH-UHFFFAOYSA-N
XLogP-0.32
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 79905007
5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 79897251
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505164
5-amino-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbenzenesulfonamide
CID 102955514
5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 79896990
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
CID 54985308
5-amino-3-(2-ethyl-3-oxopiperazin-1-yl)-2-methylbenzenesulfonamide
CID 79901277
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 62477721

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide (CID 79896461) is 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide is Cc1c(N2CCCC2C(N)=O)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QWNKNXFDTITBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-7-10(16-4-2-3-9(16)12(14)17)5-8(13)6-11(7)20(15,18)19/h5-6,9H,2-4,13H2,1H3,(H2,14,17)(H2,15,18,19).
What are the key properties of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79896461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).