3-[(3-methoxyphenyl)sulfanylmethyl]azetidine

C11H15NOS — CID 115070683

IUPAC3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
SMILESCOc1cccc(SCC2CNC2)c1
InChIInChI=1S/C11H15NOS/c1-13-10-3-2-4-11(5-10)14-8-9-6-12-7-9/h2-5,9,12H,6-8H2,1H3
InChIKeyDGOZNPNLNYTTHY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.01
Rot. Bonds4

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

3-[(3-methoxyphenyl)sulfanylmethyl]azetidine (PubChem CID 115070683) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
PubChem CID115070683
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
SMILESCOc1cccc(SCC2CNC2)c1
InChIInChI=1S/C11H15NOS/c1-13-10-3-2-4-11(5-10)14-8-9-6-12-7-9/h2-5,9,12H,6-8H2,1H3
InChIKeyDGOZNPNLNYTTHY-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfanylmethyl]azetidine
CID 115070679
3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
CID 117032119
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
CID 115207850
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
CID 66289089
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
2-[1-[(3-methoxyphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65496783

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine?
The IUPAC name of 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine (CID 115070683) is 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine.
What is the SMILES notation for 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine?
The canonical SMILES for 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine is COc1cccc(SCC2CNC2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine?
The InChIKey is DGOZNPNLNYTTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-10-3-2-4-11(5-10)14-8-9-6-12-7-9/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine?
3-[(3-methoxyphenyl)sulfanylmethyl]azetidine has a molecular weight of 209.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)sulfanylmethyl]azetidine is sourced from PubChem (CID 115070683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).