3-methylsulfonyl-1-phenylazetidine

C10H13NO2S — CID 141441091

IUPAC3-methylsulfonyl-1-phenylazetidine
SMILESCS(=O)(=O)C1CN(c2ccccc2)C1
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-7-11(8-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyMYAXQYKRYQCEHV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.92
Rot. Bonds2

About 3-methylsulfonyl-1-phenylazetidine

3-methylsulfonyl-1-phenylazetidine (PubChem CID 141441091) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-methylsulfonyl-1-phenylazetidine.

Molecular Properties

Compound Name3-methylsulfonyl-1-phenylazetidine
PubChem CID141441091
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-methylsulfonyl-1-phenylazetidine
SMILESCS(=O)(=O)C1CN(c2ccccc2)C1
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-7-11(8-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyMYAXQYKRYQCEHV-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-phenylazetidine?
The IUPAC name of 3-methylsulfonyl-1-phenylazetidine (CID 141441091) is 3-methylsulfonyl-1-phenylazetidine.
What is the SMILES notation for 3-methylsulfonyl-1-phenylazetidine?
The canonical SMILES for 3-methylsulfonyl-1-phenylazetidine is CS(=O)(=O)C1CN(c2ccccc2)C1.
What is the InChIKey of 3-methylsulfonyl-1-phenylazetidine?
The InChIKey is MYAXQYKRYQCEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)10-7-11(8-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-methylsulfonyl-1-phenylazetidine?
3-methylsulfonyl-1-phenylazetidine has a molecular weight of 211.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-phenylazetidine is sourced from PubChem (CID 141441091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).