4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C13H19N3O3S — CID 79589547

IUPAC4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H19N3O3S/c1-8-5-10(14)6-9(2)13(8)20(18,19)16-11-3-4-12(17)15-7-11/h5-6,11,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyVJSFGOYOHUUEQJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.44
Rot. Bonds3

About 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 79589547) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID79589547
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H19N3O3S/c1-8-5-10(14)6-9(2)13(8)20(18,19)16-11-3-4-12(17)15-7-11/h5-6,11,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyVJSFGOYOHUUEQJ-UHFFFAOYSA-N
XLogP0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide 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

4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide
CID 79569385
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 79588779
2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62491455
2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492163
6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180960
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
2-methyl-4-nitro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63663528
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 103051474
2-amino-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63663044
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 79589547) is 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC1CCC(=O)NC1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is VJSFGOYOHUUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-5-10(14)6-9(2)13(8)20(18,19)16-11-3-4-12(17)15-7-11/h5-6,11,16H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79589547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).