1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide

C12H18N4O3S — CID 79466325

IUPAC1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C12H18N4O3S/c13-10-7-9(1-2-11(10)20(15,18)19)16-5-3-8(4-6-16)12(14)17/h1-2,7-8H,3-6,13H2,(H2,14,17)(H2,15,18,19)
InChIKeyZMUVPMSDLNYFPX-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.38
Rot. Bonds3

About 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide

1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 79466325) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID79466325
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C12H18N4O3S/c13-10-7-9(1-2-11(10)20(15,18)19)16-5-3-8(4-6-16)12(14)17/h1-2,7-8H,3-6,13H2,(H2,14,17)(H2,15,18,19)
InChIKeyZMUVPMSDLNYFPX-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

2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
CID 79466596
2-amino-4-[4-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide
CID 79466266
1-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 67036773
2-amino-4-piperazin-1-ylbenzenesulfonamide
CID 79466445
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514
2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
CID 79466454
1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16787596
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593
2-amino-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 107213964
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 79466909

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide (CID 79466325) is 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1.
What is the InChIKey of 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is ZMUVPMSDLNYFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c13-10-7-9(1-2-11(10)20(15,18)19)16-5-3-8(4-6-16)12(14)17/h1-2,7-8H,3-6,13H2,(H2,14,17)(H2,15,18,19).
What are the key properties of 1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(3-amino-4-sulfamoylphenyl)piperidine-4-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-4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 79466325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).