3-(2-methylsulfonylphenoxy)azetidine

C10H13NO3S — CID 63105548

IUPAC3-(2-methylsulfonylphenoxy)azetidine
SMILESCS(=O)(=O)c1ccccc1OC1CNC1
InChIInChI=1S/C10H13NO3S/c1-15(12,13)10-5-3-2-4-9(10)14-8-6-11-7-8/h2-5,8,11H,6-7H2,1H3
InChIKeyIFBXOKCNRXJEQQ-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.44
Rot. Bonds3

About 3-(2-methylsulfonylphenoxy)azetidine

3-(2-methylsulfonylphenoxy)azetidine (PubChem CID 63105548) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(2-methylsulfonylphenoxy)azetidine.

Molecular Properties

Compound Name3-(2-methylsulfonylphenoxy)azetidine
PubChem CID63105548
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(2-methylsulfonylphenoxy)azetidine
SMILESCS(=O)(=O)c1ccccc1OC1CNC1
InChIInChI=1S/C10H13NO3S/c1-15(12,13)10-5-3-2-4-9(10)14-8-6-11-7-8/h2-5,8,11H,6-7H2,1H3
InChIKeyIFBXOKCNRXJEQQ-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylphenoxy)azetidine?
The IUPAC name of 3-(2-methylsulfonylphenoxy)azetidine (CID 63105548) is 3-(2-methylsulfonylphenoxy)azetidine.
What is the SMILES notation for 3-(2-methylsulfonylphenoxy)azetidine?
The canonical SMILES for 3-(2-methylsulfonylphenoxy)azetidine is CS(=O)(=O)c1ccccc1OC1CNC1.
What is the InChIKey of 3-(2-methylsulfonylphenoxy)azetidine?
The InChIKey is IFBXOKCNRXJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(12,13)10-5-3-2-4-9(10)14-8-6-11-7-8/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 3-(2-methylsulfonylphenoxy)azetidine?
3-(2-methylsulfonylphenoxy)azetidine has a molecular weight of 227.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylphenoxy)azetidine is sourced from PubChem (CID 63105548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).