4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine

C14H15NOS — CID 761520

IUPAC4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine
SMILESCOc1ccc(SCCc2ccncc2)cc1
InChIInChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3
InChIKeyIUWQYMDPRUPDGB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.42
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine

4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine (PubChem CID 761520) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine
PubChem CID761520
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine
SMILESCOc1ccc(SCCc2ccncc2)cc1
InChIInChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3
InChIKeyIUWQYMDPRUPDGB-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine?
The IUPAC name of 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine (CID 761520) is 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine is COc1ccc(SCCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine?
The InChIKey is IUWQYMDPRUPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine?
4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine has a molecular weight of 245.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).