1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide

C13H20N4O3S — CID 82900064

IUPAC1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(S(N)(=O)=O)ccc2N)CC1
InChIInChI=1S/C13H20N4O3S/c1-16-13(18)9-4-6-17(7-5-9)12-8-10(21(15,19)20)2-3-11(12)14/h2-3,8-9H,4-7,14H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyNNQIQPYUNXLFMY-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.12
Rot. Bonds3

About 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide

1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 82900064) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID82900064
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(S(N)(=O)=O)ccc2N)CC1
InChIInChI=1S/C13H20N4O3S/c1-16-13(18)9-4-6-17(7-5-9)12-8-10(21(15,19)20)2-3-11(12)14/h2-3,8-9H,4-7,14H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyNNQIQPYUNXLFMY-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
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

4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide
CID 82898726
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 60789324
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
3-chloro-4-[4-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 81151366
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317628
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide (CID 82900064) is 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(S(N)(=O)=O)ccc2N)CC1.
What is the InChIKey of 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is NNQIQPYUNXLFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16-13(18)9-4-6-17(7-5-9)12-8-10(21(15,19)20)2-3-11(12)14/h2-3,8-9H,4-7,14H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide?
1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 82900064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).