2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine

C13H19NOS — CID 154862734

IUPAC2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(CSCCC2CC2)c1
InChIInChI=1S/C13H19NOS/c1-10-7-13(15-2)8-12(14-10)9-16-6-5-11-3-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyZKYAWGGYGWLQNN-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.43
Rot. Bonds6

About 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine

2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine (PubChem CID 154862734) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine
PubChem CID154862734
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(CSCCC2CC2)c1
InChIInChI=1S/C13H19NOS/c1-10-7-13(15-2)8-12(14-10)9-16-6-5-11-3-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyZKYAWGGYGWLQNN-UHFFFAOYSA-N
XLogP3.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine?
The IUPAC name of 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine (CID 154862734) is 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine is COc1cc(C)nc(CSCCC2CC2)c1.
What is the InChIKey of 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine?
The InChIKey is ZKYAWGGYGWLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-7-13(15-2)8-12(14-10)9-16-6-5-11-3-4-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine?
2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine has a molecular weight of 237.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine is sourced from PubChem (CID 154862734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).