3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C12H17N3O3S — CID 62092532

IUPAC3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1N
InChIInChI=1S/C12H17N3O3S/c1-8-4-5-9(7-10(8)13)19(17,18)15-11-3-2-6-14-12(11)16/h4-5,7,11,15H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyIWZHUBUJJHGUGU-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.13
Rot. Bonds3

About 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide

3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62092532) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62092532
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1N
InChIInChI=1S/C12H17N3O3S/c1-8-4-5-9(7-10(8)13)19(17,18)15-11-3-2-6-14-12(11)16/h4-5,7,11,15H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyIWZHUBUJJHGUGU-UHFFFAOYSA-N
XLogP0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methyl-N-(2-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 62092532) is 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is IWZHUBUJJHGUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-4-5-9(7-10(8)13)19(17,18)15-11-3-2-6-14-12(11)16/h4-5,7,11,15H,2-3,6,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62092532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).