2-[(2-chlorophenyl)sulfanylmethyl]azetidine

C10H12ClNS — CID 115070920

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]azetidine
SMILESClc1ccccc1SCC1CCN1
InChIInChI=1S/C10H12ClNS/c11-9-3-1-2-4-10(9)13-7-8-5-6-12-8/h1-4,8,12H,5-7H2
InChIKeyCWXCSLDZLDZSAX-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-chlorophenyl)sulfanylmethyl]azetidine

2-[(2-chlorophenyl)sulfanylmethyl]azetidine (PubChem CID 115070920) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]azetidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]azetidine
PubChem CID115070920
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]azetidine
SMILESClc1ccccc1SCC1CCN1
InChIInChI=1S/C10H12ClNS/c11-9-3-1-2-4-10(9)13-7-8-5-6-12-8/h1-4,8,12H,5-7H2
InChIKeyCWXCSLDZLDZSAX-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)sulfanylmethyl]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

2-(azetidin-2-ylmethylsulfanyl)phenol
CID 115070924
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
CID 115070917
2-[(4-chlorophenyl)sulfanylmethyl]azetidine
CID 115070934
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
4-chloro-3-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820415
2-(benzylsulfanylmethyl)azetidine
CID 115070954
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
CID 61385919
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62582805
2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456842

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]azetidine?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]azetidine (CID 115070920) is 2-[(2-chlorophenyl)sulfanylmethyl]azetidine.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]azetidine?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]azetidine is Clc1ccccc1SCC1CCN1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]azetidine?
The InChIKey is CWXCSLDZLDZSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c11-9-3-1-2-4-10(9)13-7-8-5-6-12-8/h1-4,8,12H,5-7H2.
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]azetidine?
2-[(2-chlorophenyl)sulfanylmethyl]azetidine has a molecular weight of 213.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]azetidine is sourced from PubChem (CID 115070920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).