3-[(3-chlorophenyl)sulfanylmethyl]azetidine

C10H12ClNS — CID 115070679

IUPAC3-[(3-chlorophenyl)sulfanylmethyl]azetidine
SMILESClc1cccc(SCC2CNC2)c1
InChIInChI=1S/C10H12ClNS/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8/h1-4,8,12H,5-7H2
InChIKeyAFJOYXZFJYPFFG-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.65
Rot. Bonds3

About 3-[(3-chlorophenyl)sulfanylmethyl]azetidine

3-[(3-chlorophenyl)sulfanylmethyl]azetidine (PubChem CID 115070679) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfanylmethyl]azetidine
PubChem CID115070679
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name3-[(3-chlorophenyl)sulfanylmethyl]azetidine
SMILESClc1cccc(SCC2CNC2)c1
InChIInChI=1S/C10H12ClNS/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8/h1-4,8,12H,5-7H2
InChIKeyAFJOYXZFJYPFFG-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Chlorophenyl)sulfanyl]ethan-1-amine
CID 14244857
N'-[2-(4-chlorophenyl)sulfanylethyl]propane-1,3-diamine;dihydrochloride
CID 45261796
2-[(4-Chlorophenyl)thio]ethanamine
CID 2794194
4-((3-Chlorophenyl)thio)piperidine hydrochloride
CID 24212914
3-(4-Chlorobenzenesulfonyl)azetidine
CID 71777931
4-(3-Chlorophenyl)sulfanylpiperidine
CID 10059642
2-(4-Chlorophenylthio)-methyldiethylamine hydrochloride
CID 129664625
N'-[2-(4-chlorophenyl)sulfanylethyl]propane-1,3-diamine
CID 11436496
2-(3-Chlorophenyl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62646273
2-(3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62646830
N-[2-(3-chlorophenyl)sulfanylethyl]-2,2,2-trifluoroethanamine
CID 62646834
1-(3-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66146216

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfanylmethyl]azetidine?
The IUPAC name of 3-[(3-chlorophenyl)sulfanylmethyl]azetidine (CID 115070679) is 3-[(3-chlorophenyl)sulfanylmethyl]azetidine.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfanylmethyl]azetidine?
The canonical SMILES for 3-[(3-chlorophenyl)sulfanylmethyl]azetidine is Clc1cccc(SCC2CNC2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfanylmethyl]azetidine?
The InChIKey is AFJOYXZFJYPFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8/h1-4,8,12H,5-7H2.
What are the key properties of 3-[(3-chlorophenyl)sulfanylmethyl]azetidine?
3-[(3-chlorophenyl)sulfanylmethyl]azetidine has a molecular weight of 213.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfanylmethyl]azetidine is sourced from PubChem (CID 115070679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).