3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine

C12H16ClNS — CID 106864072

IUPAC3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine
SMILESCc1ccc(CSCC2CNC2)c(Cl)c1
InChIInChI=1S/C12H16ClNS/c1-9-2-3-11(12(13)4-9)8-15-7-10-5-14-6-10/h2-4,10,14H,5-8H2,1H3
InChIKeyODUWXCJGLAXMQB-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.10
Rot. Bonds4

About 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine

3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine (PubChem CID 106864072) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine
PubChem CID106864072
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine
SMILESCc1ccc(CSCC2CNC2)c(Cl)c1
InChIInChI=1S/C12H16ClNS/c1-9-2-3-11(12(13)4-9)8-15-7-10-5-14-6-10/h2-4,10,14H,5-8H2,1H3
InChIKeyODUWXCJGLAXMQB-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]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

1-[(2-chloro-4-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 106864070
2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine
CID 80664038
3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033
3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine
CID 107391714
3-[2-(4-methylphenyl)sulfanylethylsulfanylmethyl]azetidine
CID 66290956
3-[(2-chloro-4-methylphenyl)methylsulfanyl]-2-methylpropanoic acid
CID 106861575
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
3-[(2-methyl-3-nitrophenyl)methylsulfanylmethyl]azetidine
CID 66290319
4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 66290706
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine (CID 106864072) is 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine is Cc1ccc(CSCC2CNC2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine?
The InChIKey is ODUWXCJGLAXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-9-2-3-11(12(13)4-9)8-15-7-10-5-14-6-10/h2-4,10,14H,5-8H2,1H3.
What are the key properties of 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine?
3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine has a molecular weight of 241.79 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine is sourced from PubChem (CID 106864072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).