N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide

C11H21N3O3S — CID 55244528

IUPACN-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)N2CCCCCC2)CN1
InChIInChI=1S/C11H21N3O3S/c15-11-6-5-10(9-12-11)13-18(16,17)14-7-3-1-2-4-8-14/h10,13H,1-9H2,(H,12,15)
InChIKeyCTBVCJNHTPERPK-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.02
Rot. Bonds3

About N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide

N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide (PubChem CID 55244528) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
PubChem CID55244528
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)N2CCCCCC2)CN1
InChIInChI=1S/C11H21N3O3S/c15-11-6-5-10(9-12-11)13-18(16,17)14-7-3-1-2-4-8-14/h10,13H,1-9H2,(H,12,15)
InChIKeyCTBVCJNHTPERPK-UHFFFAOYSA-N
XLogP-0.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide 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 N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide (CID 55244528) is N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide is O=C1CCC(NS(=O)(=O)N2CCCCCC2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide?
The InChIKey is CTBVCJNHTPERPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c15-11-6-5-10(9-12-11)13-18(16,17)14-7-3-1-2-4-8-14/h10,13H,1-9H2,(H,12,15).
What are the key properties of N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide?
N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide is sourced from PubChem (CID 55244528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).