1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H20N4O3S — CID 60988372

IUPAC1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N4O3S/c1-16(2)13(18)12-4-3-5-17(12)10-6-9(14)7-11(8-10)21(15,19)20/h6-8,12H,3-5,14H2,1-2H3,(H2,15,19,20)
InChIKeyMKKIZRFMZZBJAZ-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.03
Rot. Bonds3

About 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 60988372) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID60988372
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N4O3S/c1-16(2)13(18)12-4-3-5-17(12)10-6-9(14)7-11(8-10)21(15,19)20/h6-8,12H,3-5,14H2,1-2H3,(H2,15,19,20)
InChIKeyMKKIZRFMZZBJAZ-UHFFFAOYSA-N
XLogP-0.03
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80724069
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
CID 60988108
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115
1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
1-(4,6-diamino-3-chloro-2-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103552707
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 63597015
1-(5-amino-1H-pyrazol-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 82234963
1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 60988372) is 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is MKKIZRFMZZBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16(2)13(18)12-4-3-5-17(12)10-6-9(14)7-11(8-10)21(15,19)20/h6-8,12H,3-5,14H2,1-2H3,(H2,15,19,20).
What are the key properties of 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60988372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).