1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide

C13H20N4O3S — CID 106317628

IUPAC1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(S(N)(=O)=O)cc2N)C1
InChIInChI=1S/C13H20N4O3S/c1-13(12(18)16-2)5-6-17(8-13)11-4-3-9(7-10(11)14)21(15,19)20/h3-4,7H,5-6,8,14H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyZAADTAURIGCLGF-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.12
Rot. Bonds3

About 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317628) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317628
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(S(N)(=O)=O)cc2N)C1
InChIInChI=1S/C13H20N4O3S/c1-13(12(18)16-2)5-6-17(8-13)11-4-3-9(7-10(11)14)21(15,19)20/h3-4,7H,5-6,8,14H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyZAADTAURIGCLGF-UHFFFAOYSA-N
XLogP-0.12
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.12
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

3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
5-bromo-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106318917
1-(4-carbamothioyl-2-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318487
1-(4-amino-5-carbamoyl-2-fluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321402
1-[4-(aminomethyl)-2,3-difluorophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317750
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide
CID 43581395
1-(2-carbamothioyl-4-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318502
1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319086

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317628) is 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ccc(S(N)(=O)=O)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ZAADTAURIGCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-13(12(18)16-2)5-6-17(8-13)11-4-3-9(7-10(11)14)21(15,19)20/h3-4,7H,5-6,8,14H2,1-2H3,(H,16,18)(H2,15,19,20).
What are the key properties of 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).