2-[(4-chlorophenyl)sulfanylmethyl]azetidine

C10H12ClNS — CID 115070934

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]azetidine
SMILESClc1ccc(SCC2CCN2)cc1
InChIInChI=1S/C10H12ClNS/c11-8-1-3-10(4-2-8)13-7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyIUAGMVNURAXJJD-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.79
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanylmethyl]azetidine

2-[(4-chlorophenyl)sulfanylmethyl]azetidine (PubChem CID 115070934) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]azetidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]azetidine
PubChem CID115070934
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]azetidine
SMILESClc1ccc(SCC2CCN2)cc1
InChIInChI=1S/C10H12ClNS/c11-8-1-3-10(4-2-8)13-7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyIUAGMVNURAXJJD-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-[(4-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-[(2-chlorophenyl)sulfanylmethyl]azetidine
CID 115070920
4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]piperidine
CID 139746775
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
2-(azetidin-2-ylmethylsulfanyl)phenol
CID 115070924
2-fluoro-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820426
5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 138992698
N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
CID 82297605
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
(2R)-2-[(4-chlorophenyl)sulfanylmethyl]-1-azabicyclo[2.2.2]octan-3-one
CID 6934092
2-[(4-chlorophenyl)sulfanylmethyl]-1-azabicyclo[2.2.2]octan-3-one
CID 2822094
1-chloro-4-ethylsulfanylbenzene
CID 5324154
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]azetidine?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]azetidine (CID 115070934) is 2-[(4-chlorophenyl)sulfanylmethyl]azetidine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]azetidine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]azetidine is Clc1ccc(SCC2CCN2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]azetidine?
The InChIKey is IUAGMVNURAXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c11-8-1-3-10(4-2-8)13-7-9-5-6-12-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]azetidine?
2-[(4-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-[(4-chlorophenyl)sulfanylmethyl]azetidine is sourced from PubChem (CID 115070934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).