2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine

C19H19NOS — CID 167777125

IUPAC2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine
SMILESCc1ccc(CS(=O)Cc2cccc3ccccc23)c(C)n1
InChIInChI=1S/C19H19NOS/c1-14-10-11-17(15(2)20-14)12-22(21)13-18-8-5-7-16-6-3-4-9-19(16)18/h3-11H,12-13H2,1-2H3
InChIKeyJAMSBKCYJWLKAH-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.30
Rot. Bonds4

About 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine

2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine (PubChem CID 167777125) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine
PubChem CID167777125
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine
SMILESCc1ccc(CS(=O)Cc2cccc3ccccc23)c(C)n1
InChIInChI=1S/C19H19NOS/c1-14-10-11-17(15(2)20-14)12-22(21)13-18-8-5-7-16-6-3-4-9-19(16)18/h3-11H,12-13H2,1-2H3
InChIKeyJAMSBKCYJWLKAH-UHFFFAOYSA-N
XLogP4.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine?
The IUPAC name of 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine (CID 167777125) is 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine.
What is the SMILES notation for 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine?
The canonical SMILES for 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine is Cc1ccc(CS(=O)Cc2cccc3ccccc23)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine?
The InChIKey is JAMSBKCYJWLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-14-10-11-17(15(2)20-14)12-22(21)13-18-8-5-7-16-6-3-4-9-19(16)18/h3-11H,12-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine?
2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine has a molecular weight of 309.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine is sourced from PubChem (CID 167777125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).