3-[(2-methylphenyl)methylsulfonylmethyl]azetidine

C12H17NO2S — CID 81197445

IUPAC3-[(2-methylphenyl)methylsulfonylmethyl]azetidine
SMILESCc1ccccc1CS(=O)(=O)CC1CNC1
InChIInChI=1S/C12H17NO2S/c1-10-4-2-3-5-12(10)9-16(14,15)8-11-6-13-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyKCVRFQFBPNZVLS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.13
Rot. Bonds4

About 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine

3-[(2-methylphenyl)methylsulfonylmethyl]azetidine (PubChem CID 81197445) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfonylmethyl]azetidine
PubChem CID81197445
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-[(2-methylphenyl)methylsulfonylmethyl]azetidine
SMILESCc1ccccc1CS(=O)(=O)CC1CNC1
InChIInChI=1S/C12H17NO2S/c1-10-4-2-3-5-12(10)9-16(14,15)8-11-6-13-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyKCVRFQFBPNZVLS-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine 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 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine?
The IUPAC name of 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine (CID 81197445) is 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine is Cc1ccccc1CS(=O)(=O)CC1CNC1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine?
The InChIKey is KCVRFQFBPNZVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-4-2-3-5-12(10)9-16(14,15)8-11-6-13-7-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine?
3-[(2-methylphenyl)methylsulfonylmethyl]azetidine has a molecular weight of 239.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfonylmethyl]azetidine is sourced from PubChem (CID 81197445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).