1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone

C11H13NO2S — CID 157041195

IUPAC1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Sc2ccc(O)cc2)C1
InChIInChI=1S/C11H13NO2S/c1-8(13)12-6-11(7-12)15-10-4-2-9(14)3-5-10/h2-5,11,14H,6-7H2,1H3
InChIKeyOEMMHGZXAKXQQU-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.72
Rot. Bonds2

About 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone

1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone (PubChem CID 157041195) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone
PubChem CID157041195
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Sc2ccc(O)cc2)C1
InChIInChI=1S/C11H13NO2S/c1-8(13)12-6-11(7-12)15-10-4-2-9(14)3-5-10/h2-5,11,14H,6-7H2,1H3
InChIKeyOEMMHGZXAKXQQU-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone 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 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone (CID 157041195) is 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone is CC(=O)N1CC(Sc2ccc(O)cc2)C1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone?
The InChIKey is OEMMHGZXAKXQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(13)12-6-11(7-12)15-10-4-2-9(14)3-5-10/h2-5,11,14H,6-7H2,1H3.
What are the key properties of 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone?
1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone has a molecular weight of 223.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)sulfanylazetidin-1-yl]ethanone is sourced from PubChem (CID 157041195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).