5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine

C15H17NOS — CID 744394

IUPAC5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine
SMILESCOc1ccc(SCCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H17NOS/c1-12-3-4-13(11-16-12)9-10-18-15-7-5-14(17-2)6-8-15/h3-8,11H,9-10H2,1-2H3
InChIKeyOEVLWBMBHHLTNK-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.73
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine

5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine (PubChem CID 744394) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine
PubChem CID744394
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine
SMILESCOc1ccc(SCCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H17NOS/c1-12-3-4-13(11-16-12)9-10-18-15-7-5-14(17-2)6-8-15/h3-8,11H,9-10H2,1-2H3
InChIKeyOEVLWBMBHHLTNK-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine?
The IUPAC name of 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine (CID 744394) is 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine?
The canonical SMILES for 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine is COc1ccc(SCCc2ccc(C)nc2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine?
The InChIKey is OEVLWBMBHHLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-3-4-13(11-16-12)9-10-18-15-7-5-14(17-2)6-8-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine?
5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine has a molecular weight of 259.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine is sourced from PubChem (CID 744394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).