1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide

C13H20N4O3S — CID 115992520

IUPAC1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H20N4O3S/c1-16-13(18)10-5-2-3-8-17(10)9-6-4-7-11(12(9)14)21(15,19)20/h4,6-7,10H,2-3,5,8,14H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyOSUYBMXUAIBXEV-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.02
Rot. Bonds3

About 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide

1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 115992520) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
PubChem CID115992520
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H20N4O3S/c1-16-13(18)10-5-2-3-8-17(10)9-6-4-7-11(12(9)14)21(15,19)20/h4,6-7,10H,2-3,5,8,14H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyOSUYBMXUAIBXEV-UHFFFAOYSA-N
XLogP0.02
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 ≤ 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

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobenzenesulfonamide
CID 115992914
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 115934550
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
CID 83065847
1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 103959932
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 54985330
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 63356602
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide (CID 115992520) is 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is OSUYBMXUAIBXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16-13(18)10-5-2-3-8-17(10)9-6-4-7-11(12(9)14)21(15,19)20/h4,6-7,10H,2-3,5,8,14H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide?
1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 115992520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).