4-(2-naphthalen-2-ylsulfanylethyl)pyridine

C17H15NS — CID 3627632

IUPAC4-(2-naphthalen-2-ylsulfanylethyl)pyridine
SMILESc1ccc2cc(SCCc3ccncc3)ccc2c1
InChIInChI=1S/C17H15NS/c1-2-4-16-13-17(6-5-15(16)3-1)19-12-9-14-7-10-18-11-8-14/h1-8,10-11,13H,9,12H2
InChIKeyUQNJXAAJQUGXTH-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.57
Rot. Bonds4

About 4-(2-naphthalen-2-ylsulfanylethyl)pyridine

4-(2-naphthalen-2-ylsulfanylethyl)pyridine (PubChem CID 3627632) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylsulfanylethyl)pyridine.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylsulfanylethyl)pyridine
PubChem CID3627632
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name4-(2-naphthalen-2-ylsulfanylethyl)pyridine
SMILESc1ccc2cc(SCCc3ccncc3)ccc2c1
InChIInChI=1S/C17H15NS/c1-2-4-16-13-17(6-5-15(16)3-1)19-12-9-14-7-10-18-11-8-14/h1-8,10-11,13H,9,12H2
InChIKeyUQNJXAAJQUGXTH-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylsulfanylethyl)pyridine?
The IUPAC name of 4-(2-naphthalen-2-ylsulfanylethyl)pyridine (CID 3627632) is 4-(2-naphthalen-2-ylsulfanylethyl)pyridine.
What is the SMILES notation for 4-(2-naphthalen-2-ylsulfanylethyl)pyridine?
The canonical SMILES for 4-(2-naphthalen-2-ylsulfanylethyl)pyridine is c1ccc2cc(SCCc3ccncc3)ccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylsulfanylethyl)pyridine?
The InChIKey is UQNJXAAJQUGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-4-16-13-17(6-5-15(16)3-1)19-12-9-14-7-10-18-11-8-14/h1-8,10-11,13H,9,12H2.
What are the key properties of 4-(2-naphthalen-2-ylsulfanylethyl)pyridine?
4-(2-naphthalen-2-ylsulfanylethyl)pyridine has a molecular weight of 265.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylsulfanylethyl)pyridine is sourced from PubChem (CID 3627632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).