N-benzyl-4-sulfamoylpiperidine-1-carboxamide

C13H19N3O3S — CID 100673465

IUPACN-benzyl-4-sulfamoylpiperidine-1-carboxamide
SMILESNS(=O)(=O)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-6-8-16(9-7-12)13(17)15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H2,14,18,19)
InChIKeyZLJIVOYCHPLGFY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.65
Rot. Bonds3

About N-benzyl-4-sulfamoylpiperidine-1-carboxamide

N-benzyl-4-sulfamoylpiperidine-1-carboxamide (PubChem CID 100673465) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-benzyl-4-sulfamoylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-sulfamoylpiperidine-1-carboxamide
PubChem CID100673465
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-benzyl-4-sulfamoylpiperidine-1-carboxamide
SMILESNS(=O)(=O)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-6-8-16(9-7-12)13(17)15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H2,14,18,19)
InChIKeyZLJIVOYCHPLGFY-UHFFFAOYSA-N
XLogP0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
N-[5-(3-Benzyl-ureido)-pentyl]-2-mercapto-acetamide
CID 44389623
N-benzylpiperidine-1-carboxamide
CID 2987569
1-Benzyl-1,3-diazinan-2-one
CID 13404971
1-Benzylsulfonyl-3-butylurea
CID 234307
4-({[(Dimethylamino)carbonyl]amino}methyl)benzenesulfonamide
CID 2227132
N-(benzylcarbamoyl)-4-methylbenzenesulfonamide
CID 788085
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563
N-{2-[benzyl(methyl)amino]ethyl}-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236854
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241058
N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 9207931

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-sulfamoylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-sulfamoylpiperidine-1-carboxamide (CID 100673465) is N-benzyl-4-sulfamoylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-sulfamoylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-sulfamoylpiperidine-1-carboxamide is NS(=O)(=O)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-sulfamoylpiperidine-1-carboxamide?
The InChIKey is ZLJIVOYCHPLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-20(18,19)12-6-8-16(9-7-12)13(17)15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H2,14,18,19).
What are the key properties of N-benzyl-4-sulfamoylpiperidine-1-carboxamide?
N-benzyl-4-sulfamoylpiperidine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-sulfamoylpiperidine-1-carboxamide is sourced from PubChem (CID 100673465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).