2-(oxan-3-ylmethylsulfanylmethyl)pyridine

C12H17NOS — CID 84597044

IUPAC2-(oxan-3-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCC2CCCOC2)nc1
InChIInChI=1S/C12H17NOS/c1-2-6-13-12(5-1)10-15-9-11-4-3-7-14-8-11/h1-2,5-6,11H,3-4,7-10H2
InChIKeyGEOWLINXMWGXBK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.74
Rot. Bonds4

About 2-(oxan-3-ylmethylsulfanylmethyl)pyridine

2-(oxan-3-ylmethylsulfanylmethyl)pyridine (PubChem CID 84597044) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(oxan-3-ylmethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-(oxan-3-ylmethylsulfanylmethyl)pyridine
PubChem CID84597044
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(oxan-3-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCC2CCCOC2)nc1
InChIInChI=1S/C12H17NOS/c1-2-6-13-12(5-1)10-15-9-11-4-3-7-14-8-11/h1-2,5-6,11H,3-4,7-10H2
InChIKeyGEOWLINXMWGXBK-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637112
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
[1-(oxan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105229826
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-(cyclohexylmethyl)pyridine
CID 14762660
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 102671285
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95857698
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
1-[2-[[(3S)-oxan-3-yl]methylsulfanyl]ethyl]imidazole
CID 97328435
1-(oxolan-3-yl)-2-pyridin-2-ylethanol
CID 63562842

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethylsulfanylmethyl)pyridine?
The IUPAC name of 2-(oxan-3-ylmethylsulfanylmethyl)pyridine (CID 84597044) is 2-(oxan-3-ylmethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-(oxan-3-ylmethylsulfanylmethyl)pyridine?
The canonical SMILES for 2-(oxan-3-ylmethylsulfanylmethyl)pyridine is c1ccc(CSCC2CCCOC2)nc1.
What is the InChIKey of 2-(oxan-3-ylmethylsulfanylmethyl)pyridine?
The InChIKey is GEOWLINXMWGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-6-13-12(5-1)10-15-9-11-4-3-7-14-8-11/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 2-(oxan-3-ylmethylsulfanylmethyl)pyridine?
2-(oxan-3-ylmethylsulfanylmethyl)pyridine has a molecular weight of 223.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethylsulfanylmethyl)pyridine is sourced from PubChem (CID 84597044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).