3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine

C12H16ClNO2S — CID 79459716

IUPAC3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCC1(c2ccccc2Cl)CNC1
InChIInChI=1S/C12H16ClNO2S/c1-17(15,16)7-6-12(8-14-9-12)10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3
InChIKeyAOHGCGACNQHJKJ-UHFFFAOYSA-N
MW273.78 g/mol
LogP1.62
Rot. Bonds4

About 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine

3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine (PubChem CID 79459716) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine
PubChem CID79459716
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCC1(c2ccccc2Cl)CNC1
InChIInChI=1S/C12H16ClNO2S/c1-17(15,16)7-6-12(8-14-9-12)10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3
InChIKeyAOHGCGACNQHJKJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine?
The IUPAC name of 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine (CID 79459716) is 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine?
The canonical SMILES for 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine is CS(=O)(=O)CCC1(c2ccccc2Cl)CNC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine?
The InChIKey is AOHGCGACNQHJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-17(15,16)7-6-12(8-14-9-12)10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine?
3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine has a molecular weight of 273.78 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine is sourced from PubChem (CID 79459716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).