2-(azetidin-1-yl)ethanesulfonamide

C5H12N2O2S — CID 89215571

IUPAC2-(azetidin-1-yl)ethanesulfonamide
SMILESNS(=O)(=O)CCN1CCC1
InChIInChI=1S/C5H12N2O2S/c6-10(8,9)5-4-7-2-1-3-7/h1-5H2,(H2,6,8,9)
InChIKeyCDBCZCXQANQBGI-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.02
Rot. Bonds3

About 2-(azetidin-1-yl)ethanesulfonamide

2-(azetidin-1-yl)ethanesulfonamide (PubChem CID 89215571) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(azetidin-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(azetidin-1-yl)ethanesulfonamide
PubChem CID89215571
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-(azetidin-1-yl)ethanesulfonamide
SMILESNS(=O)(=O)CCN1CCC1
InChIInChI=1S/C5H12N2O2S/c6-10(8,9)5-4-7-2-1-3-7/h1-5H2,(H2,6,8,9)
InChIKeyCDBCZCXQANQBGI-UHFFFAOYSA-N
XLogP-1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)ethanesulfonamide?
The IUPAC name of 2-(azetidin-1-yl)ethanesulfonamide (CID 89215571) is 2-(azetidin-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(azetidin-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(azetidin-1-yl)ethanesulfonamide is NS(=O)(=O)CCN1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)ethanesulfonamide?
The InChIKey is CDBCZCXQANQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-10(8,9)5-4-7-2-1-3-7/h1-5H2,(H2,6,8,9).
What are the key properties of 2-(azetidin-1-yl)ethanesulfonamide?
2-(azetidin-1-yl)ethanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)ethanesulfonamide is sourced from PubChem (CID 89215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).