3-(azetidin-1-yl)propane-1-sulfonamide

C6H14N2O2S — CID 130159736

IUPAC3-(azetidin-1-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCC1
InChIInChI=1S/C6H14N2O2S/c7-11(9,10)6-2-5-8-3-1-4-8/h1-6H2,(H2,7,9,10)
InChIKeyGZQXIGYORXMKOU-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds4

About 3-(azetidin-1-yl)propane-1-sulfonamide

3-(azetidin-1-yl)propane-1-sulfonamide (PubChem CID 130159736) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-(azetidin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(azetidin-1-yl)propane-1-sulfonamide
PubChem CID130159736
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name3-(azetidin-1-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCC1
InChIInChI=1S/C6H14N2O2S/c7-11(9,10)6-2-5-8-3-1-4-8/h1-6H2,(H2,7,9,10)
InChIKeyGZQXIGYORXMKOU-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azetidin-1-yl)propane-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 3-(azetidin-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(azetidin-1-yl)propane-1-sulfonamide (CID 130159736) is 3-(azetidin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(azetidin-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(azetidin-1-yl)propane-1-sulfonamide is NS(=O)(=O)CCCN1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)propane-1-sulfonamide?
The InChIKey is GZQXIGYORXMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-11(9,10)6-2-5-8-3-1-4-8/h1-6H2,(H2,7,9,10).
What are the key properties of 3-(azetidin-1-yl)propane-1-sulfonamide?
3-(azetidin-1-yl)propane-1-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 130159736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).