1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide

C13H20N4O3S — CID 103286895

IUPAC1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCCCC1C(N)=O
InChIInChI=1S/C13H20N4O3S/c1-16-21(19,20)12-8-9(14)5-6-10(12)17-7-3-2-4-11(17)13(15)18/h5-6,8,11,16H,2-4,7,14H2,1H3,(H2,15,18)
InChIKeyADOGZJASVJTSQP-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.02
Rot. Bonds4

About 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide

1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 103286895) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
PubChem CID103286895
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCCCC1C(N)=O
InChIInChI=1S/C13H20N4O3S/c1-16-21(19,20)12-8-9(14)5-6-10(12)17-7-3-2-4-11(17)13(15)18/h5-6,8,11,16H,2-4,7,14H2,1H3,(H2,15,18)
InChIKeyADOGZJASVJTSQP-UHFFFAOYSA-N
XLogP0.02
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.02
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

1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
CID 54985357
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 79896461
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
methyl 1-[2-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxylate
CID 62006621
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61113715
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 54985330
5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 103286986
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
CID 83094213

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide (CID 103286895) is 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide is CNS(=O)(=O)c1cc(N)ccc1N1CCCCC1C(N)=O.
What is the InChIKey of 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is ADOGZJASVJTSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16-21(19,20)12-8-9(14)5-6-10(12)17-7-3-2-4-11(17)13(15)18/h5-6,8,11,16H,2-4,7,14H2,1H3,(H2,15,18).
What are the key properties of 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103286895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).