2-(2-methoxy-1-methylsulfanylethyl)pyridine

C9H13NOS — CID 146229579

IUPAC2-(2-methoxy-1-methylsulfanylethyl)pyridine
SMILESCOCC(SC)c1ccccn1
InChIInChI=1S/C9H13NOS/c1-11-7-9(12-2)8-5-3-4-6-10-8/h3-6,9H,7H2,1-2H3
InChIKeyLLTNQAWRRXDTJY-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-methoxy-1-methylsulfanylethyl)pyridine

2-(2-methoxy-1-methylsulfanylethyl)pyridine (PubChem CID 146229579) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(2-methoxy-1-methylsulfanylethyl)pyridine.

Molecular Properties

Compound Name2-(2-methoxy-1-methylsulfanylethyl)pyridine
PubChem CID146229579
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(2-methoxy-1-methylsulfanylethyl)pyridine
SMILESCOCC(SC)c1ccccn1
InChIInChI=1S/C9H13NOS/c1-11-7-9(12-2)8-5-3-4-6-10-8/h3-6,9H,7H2,1-2H3
InChIKeyLLTNQAWRRXDTJY-UHFFFAOYSA-N
XLogP2.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
2-[(2R)-1-ethoxypropan-2-yl]pyridine
CID 122697916
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-chloro-1-pyridin-2-ylethanol
CID 22145518
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride
CID 20980722
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(2S)-2-methoxy-1-pyridin-2-ylpropan-1-ol
CID 131085993
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1-methylsulfanylethyl)pyridine?
The IUPAC name of 2-(2-methoxy-1-methylsulfanylethyl)pyridine (CID 146229579) is 2-(2-methoxy-1-methylsulfanylethyl)pyridine.
What is the SMILES notation for 2-(2-methoxy-1-methylsulfanylethyl)pyridine?
The canonical SMILES for 2-(2-methoxy-1-methylsulfanylethyl)pyridine is COCC(SC)c1ccccn1.
What is the InChIKey of 2-(2-methoxy-1-methylsulfanylethyl)pyridine?
The InChIKey is LLTNQAWRRXDTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-11-7-9(12-2)8-5-3-4-6-10-8/h3-6,9H,7H2,1-2H3.
What are the key properties of 2-(2-methoxy-1-methylsulfanylethyl)pyridine?
2-(2-methoxy-1-methylsulfanylethyl)pyridine has a molecular weight of 183.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-1-methylsulfanylethyl)pyridine is sourced from PubChem (CID 146229579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).