(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine

C16H17NOS — CID 122388943

IUPAC(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
SMILESCc1ccc(S(=O)N2CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19(18)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-,19?/m1/s1
InChIKeyJBVNLEFRBHLJKB-VTBWFHPJSA-N
MW271.39 g/mol
LogP3.46
Rot. Bonds3

About (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine

(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine (PubChem CID 122388943) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
PubChem CID122388943
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
SMILESCc1ccc(S(=O)N2CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19(18)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-,19?/m1/s1
InChIKeyJBVNLEFRBHLJKB-VTBWFHPJSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine 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 (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine (CID 122388943) is (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine is Cc1ccc(S(=O)N2CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
The InChIKey is JBVNLEFRBHLJKB-VTBWFHPJSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19(18)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-,19?/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine has a molecular weight of 271.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine is sourced from PubChem (CID 122388943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).