3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine

C11H14ClNOS — CID 117032119

IUPAC3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
SMILESCOc1ccc(SCC2CNC2)cc1Cl
InChIInChI=1S/C11H14ClNOS/c1-14-11-3-2-9(4-10(11)12)15-7-8-5-13-6-8/h2-4,8,13H,5-7H2,1H3
InChIKeyKUHAHKXSSWQARM-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.66
Rot. Bonds4

About 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine

3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine (PubChem CID 117032119) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
PubChem CID117032119
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
SMILESCOc1ccc(SCC2CNC2)cc1Cl
InChIInChI=1S/C11H14ClNOS/c1-14-11-3-2-9(4-10(11)12)15-7-8-5-13-6-8/h2-4,8,13H,5-7H2,1H3
InChIKeyKUHAHKXSSWQARM-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
CID 115070683
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074
(3-chloro-4-methoxyphenyl)sulfanylmethanethiol
CID 117033706
3-[(3-chlorophenyl)sulfanylmethyl]azetidine
CID 115070679
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
CID 117032101
4-(3-chloro-4-methoxyphenyl)sulfanylbutan-2-amine
CID 117032711
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
(3-chloro-4-methoxyphenyl)sulfanylhydrazine
CID 117036018
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
CID 91877375

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine?
The IUPAC name of 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine (CID 117032119) is 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine.
What is the SMILES notation for 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine?
The canonical SMILES for 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine is COc1ccc(SCC2CNC2)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine?
The InChIKey is KUHAHKXSSWQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-14-11-3-2-9(4-10(11)12)15-7-8-5-13-6-8/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine?
3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine has a molecular weight of 243.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine is sourced from PubChem (CID 117032119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).