3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide

C11H15N3O5S2 — CID 62491456

IUPAC3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C11H15N3O5S2/c12-20(16,17)9-2-1-3-10(6-9)21(18,19)14-8-4-5-11(15)13-7-8/h1-3,6,8,14H,4-5,7H2,(H,13,15)(H2,12,16,17)
InChIKeyAEGYVLVUYYJHLS-UHFFFAOYSA-N
MW333.39 g/mol
LogP-1.11
Rot. Bonds4

About 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide

3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide (PubChem CID 62491456) has the molecular formula C11H15N3O5S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
PubChem CID62491456
Molecular FormulaC11H15N3O5S2
Molecular Weight333.39 g/mol
Exact Mass333.05
IUPAC Name3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C11H15N3O5S2/c12-20(16,17)9-2-1-3-10(6-9)21(18,19)14-8-4-5-11(15)13-7-8/h1-3,6,8,14H,4-5,7H2,(H,13,15)(H2,12,16,17)
InChIKeyAEGYVLVUYYJHLS-UHFFFAOYSA-N
XLogP-1.11
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide 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-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide (CID 62491456) is 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NC2CCC(=O)NC2)c1.
What is the InChIKey of 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide?
The InChIKey is AEGYVLVUYYJHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S2/c12-20(16,17)9-2-1-3-10(6-9)21(18,19)14-8-4-5-11(15)13-7-8/h1-3,6,8,14H,4-5,7H2,(H,13,15)(H2,12,16,17).
What are the key properties of 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide?
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide has a molecular weight of 333.39 g/mol, XLogP of -1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 62491456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).