N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide

C13H14N2O5S — CID 142978877

IUPACN-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide
SMILESCC1CC(=O)C(C(=O)NS(=O)(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C13H14N2O5S/c1-8-7-10(16)11(12(17)14-8)13(18)15-21(19,20)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyXEESBEYDOOEDNM-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.41
Rot. Bonds3

About N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide

N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide (PubChem CID 142978877) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide
PubChem CID142978877
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide
SMILESCC1CC(=O)C(C(=O)NS(=O)(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C13H14N2O5S/c1-8-7-10(16)11(12(17)14-8)13(18)15-21(19,20)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyXEESBEYDOOEDNM-UHFFFAOYSA-N
XLogP-0.41
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 103308923
4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
N-(benzenesulfonyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 103308797
tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane
CID 175359448
(2R,3R)-N-(4-methylsulfonylphenyl)sulfonyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 110166834
methyl N-(benzenesulfonyl)carbamate
CID 676519
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308898
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
CID 70061354
(3aS,6aR)-N-(benzenesulfonyl)-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 166291996

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide (CID 142978877) is N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide is CC1CC(=O)C(C(=O)NS(=O)(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide?
The InChIKey is XEESBEYDOOEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-7-10(16)11(12(17)14-8)13(18)15-21(19,20)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide?
N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-methyl-2,4-dioxopiperidine-3-carboxamide is sourced from PubChem (CID 142978877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).