2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine

C11H16N2OS — CID 146322497

IUPAC2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine
SMILESCSCN1CC(COc2ccccn2)C1
InChIInChI=1S/C11H16N2OS/c1-15-9-13-6-10(7-13)8-14-11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3
InChIKeyJFWFVUDNVOMSDW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds5

About 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine

2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine (PubChem CID 146322497) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine
PubChem CID146322497
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine
SMILESCSCN1CC(COc2ccccn2)C1
InChIInChI=1S/C11H16N2OS/c1-15-9-13-6-10(7-13)8-14-11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3
InChIKeyJFWFVUDNVOMSDW-UHFFFAOYSA-N
XLogP1.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
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2-(1,3-dioxolan-2-ylmethoxy)pyridine
CID 69476681
2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
CID 70082064
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
CID 133349542
2-methyl-4-[[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97476138
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate
CID 159083135
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
CID 167781295
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine (CID 146322497) is 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine is CSCN1CC(COc2ccccn2)C1.
What is the InChIKey of 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine?
The InChIKey is JFWFVUDNVOMSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-15-9-13-6-10(7-13)8-14-11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine?
2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine has a molecular weight of 224.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylsulfanylmethyl)azetidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 146322497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).