(2R)-2-(4-methylsulfanylphenyl)azetidine

C10H13NS — CID 130863298

IUPAC(2R)-2-(4-methylsulfanylphenyl)azetidine
SMILESCSc1ccc([C@H]2CCN2)cc1
InChIInChI=1S/C10H13NS/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
InChIKeyVDTGKNDKLRZMEX-SNVBAGLBSA-N
MW179.29 g/mol
LogP2.44
Rot. Bonds2

About (2R)-2-(4-methylsulfanylphenyl)azetidine

(2R)-2-(4-methylsulfanylphenyl)azetidine (PubChem CID 130863298) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfanylphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfanylphenyl)azetidine
PubChem CID130863298
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(2R)-2-(4-methylsulfanylphenyl)azetidine
SMILESCSc1ccc([C@H]2CCN2)cc1
InChIInChI=1S/C10H13NS/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
InChIKeyVDTGKNDKLRZMEX-SNVBAGLBSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-methylsulfanylphenyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-methylsulfanylphenyl)azetidine
CID 130692271
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
CID 4553676
4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one
CID 116981144
3-methyl-4-(4-methylsulfanylphenyl)piperidine
CID 79320888
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
2-(4-butylphenyl)azetidine
CID 55273387
1-[4-(azetidin-2-yl)phenyl]pyrrole
CID 55273101
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95127660
2-(4-propan-2-ylsulfanylphenyl)aziridine
CID 82469044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfanylphenyl)azetidine?
The IUPAC name of (2R)-2-(4-methylsulfanylphenyl)azetidine (CID 130863298) is (2R)-2-(4-methylsulfanylphenyl)azetidine.
What is the SMILES notation for (2R)-2-(4-methylsulfanylphenyl)azetidine?
The canonical SMILES for (2R)-2-(4-methylsulfanylphenyl)azetidine is CSc1ccc([C@H]2CCN2)cc1.
What is the InChIKey of (2R)-2-(4-methylsulfanylphenyl)azetidine?
The InChIKey is VDTGKNDKLRZMEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NS/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methylsulfanylphenyl)azetidine?
(2R)-2-(4-methylsulfanylphenyl)azetidine has a molecular weight of 179.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfanylphenyl)azetidine is sourced from PubChem (CID 130863298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).