1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone

C12H15NO2S — CID 63106968

IUPAC1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone
SMILESCc1ccccc1SCC(=O)N1CC(O)C1
InChIInChI=1S/C12H15NO2S/c1-9-4-2-3-5-11(9)16-8-12(15)13-6-10(14)7-13/h2-5,10,14H,6-8H2,1H3
InChIKeyBYHZBYGBHHBMSL-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.29
Rot. Bonds3

About 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone

1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone (PubChem CID 63106968) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone
PubChem CID63106968
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone
SMILESCc1ccccc1SCC(=O)N1CC(O)C1
InChIInChI=1S/C12H15NO2S/c1-9-4-2-3-5-11(9)16-8-12(15)13-6-10(14)7-13/h2-5,10,14H,6-8H2,1H3
InChIKeyBYHZBYGBHHBMSL-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone (CID 63106968) is 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone is Cc1ccccc1SCC(=O)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone?
The InChIKey is BYHZBYGBHHBMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9-4-2-3-5-11(9)16-8-12(15)13-6-10(14)7-13/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone?
1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone has a molecular weight of 237.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone is sourced from PubChem (CID 63106968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).