1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide

C12H18N4O3S — CID 60988108

IUPAC1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(N)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C12H18N4O3S/c13-9-4-10(6-11(5-9)20(15,18)19)16-3-1-2-8(7-16)12(14)17/h4-6,8H,1-3,7,13H2,(H2,14,17)(H2,15,18,19)
InChIKeyLTKRYOCNCWVJHM-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.38
Rot. Bonds3

About 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide

1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 60988108) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID60988108
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(N)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C12H18N4O3S/c13-9-4-10(6-11(5-9)20(15,18)19)16-3-1-2-8(7-16)12(14)17/h4-6,8H,1-3,7,13H2,(H2,14,17)(H2,15,18,19)
InChIKeyLTKRYOCNCWVJHM-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
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-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
3-amino-5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzenesulfonamide
CID 79919032
3-amino-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112624246
3-amino-5-(4-cyclopropylpiperazin-1-yl)benzenesulfonamide
CID 61440515
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
3-amino-5-(1,4-thiazepan-4-yl)benzenesulfonamide
CID 61419235
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide
CID 43257284
1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60988372
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide (CID 60988108) is 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc(N)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is LTKRYOCNCWVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c13-9-4-10(6-11(5-9)20(15,18)19)16-3-1-2-8(7-16)12(14)17/h4-6,8H,1-3,7,13H2,(H2,14,17)(H2,15,18,19).
What are the key properties of 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide?
1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 60988108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).