2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine

C15H17NOS — CID 501245

IUPAC2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine
SMILESCOc1cccnc1SCc1cc(C)ccc1C
InChIInChI=1S/C15H17NOS/c1-11-6-7-12(2)13(9-11)10-18-15-14(17-3)5-4-8-16-15/h4-9H,10H2,1-3H3
InChIKeyJSIMAKHIOKEABP-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.00
Rot. Bonds4

About 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine

2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine (PubChem CID 501245) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine
PubChem CID501245
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine
SMILESCOc1cccnc1SCc1cc(C)ccc1C
InChIInChI=1S/C15H17NOS/c1-11-6-7-12(2)13(9-11)10-18-15-14(17-3)5-4-8-16-15/h4-9H,10H2,1-3H3
InChIKeyJSIMAKHIOKEABP-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(2-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 46337692
(2,6-dimethoxyphenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3570534
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 16900442
3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole
CID 7857552
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
CID 57219210
3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
CID 42799287
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3375303
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-3-nitropyridine
CID 47458840
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate
CID 22425499

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine (CID 501245) is 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine is COc1cccnc1SCc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine?
The InChIKey is JSIMAKHIOKEABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-6-7-12(2)13(9-11)10-18-15-14(17-3)5-4-8-16-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine?
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine has a molecular weight of 259.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine is sourced from PubChem (CID 501245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).