3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine

C12H17NOS — CID 66289089

IUPAC3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
SMILESCOc1ccc(CSCC2CNC2)cc1
InChIInChI=1S/C12H17NOS/c1-14-12-4-2-10(3-5-12)8-15-9-11-6-13-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyAYIPAHCWGLDINU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.15
Rot. Bonds5

About 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine

3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine (PubChem CID 66289089) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
PubChem CID66289089
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
SMILESCOc1ccc(CSCC2CNC2)cc1
InChIInChI=1S/C12H17NOS/c1-14-12-4-2-10(3-5-12)8-15-9-11-6-13-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyAYIPAHCWGLDINU-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
3-[(3-methoxy-5-nitrophenyl)methylsulfanylmethyl]azetidine
CID 81154861
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
CID 10242740
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinan-2-one
CID 13332723
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinane-2-thione
CID 54089668
3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
CID 115070683
N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 170567610
3-[(3-nitrophenyl)methylsulfanylmethyl]azetidine
CID 66290311
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
N-[2-(4-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 66187359
3-[(4-methoxyphenyl)methylsulfanyl]propan-1-amine
CID 58684174

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine?
The IUPAC name of 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine (CID 66289089) is 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine?
The canonical SMILES for 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine is COc1ccc(CSCC2CNC2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine?
The InChIKey is AYIPAHCWGLDINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-14-12-4-2-10(3-5-12)8-15-9-11-6-13-7-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine?
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine has a molecular weight of 223.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine is sourced from PubChem (CID 66289089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).