4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one

C8H15NO4S — CID 70553027

IUPAC4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one
SMILESCCS(=O)(=O)C1NC(=O)C1CC(C)O
InChIInChI=1S/C8H15NO4S/c1-3-14(12,13)8-6(4-5(2)10)7(11)9-8/h5-6,8,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyLLSYCPQCZYLKIH-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.74
Rot. Bonds4

About 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one

4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one (PubChem CID 70553027) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one.

Molecular Properties

Compound Name4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one
PubChem CID70553027
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one
SMILESCCS(=O)(=O)C1NC(=O)C1CC(C)O
InChIInChI=1S/C8H15NO4S/c1-3-14(12,13)8-6(4-5(2)10)7(11)9-8/h5-6,8,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyLLSYCPQCZYLKIH-UHFFFAOYSA-N
XLogP-0.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one 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 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one?
The IUPAC name of 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one (CID 70553027) is 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one.
What is the SMILES notation for 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one?
The canonical SMILES for 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one is CCS(=O)(=O)C1NC(=O)C1CC(C)O.
What is the InChIKey of 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one?
The InChIKey is LLSYCPQCZYLKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-3-14(12,13)8-6(4-5(2)10)7(11)9-8/h5-6,8,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one?
4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one has a molecular weight of 221.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one is sourced from PubChem (CID 70553027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).