2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine

C17H18N2S — CID 66612778

IUPAC2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
SMILESC1=C(c2cccc(CSc3ccccc3)n2)CNCC1
InChIInChI=1S/C17H18N2S/c1-2-8-16(9-3-1)20-13-15-7-4-10-17(19-15)14-6-5-11-18-12-14/h1-4,6-10,18H,5,11-13H2
InChIKeyVJWZMKPLCUSMHR-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.75
Rot. Bonds4

About 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine

2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine (PubChem CID 66612778) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
PubChem CID66612778
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
SMILESC1=C(c2cccc(CSc3ccccc3)n2)CNCC1
InChIInChI=1S/C17H18N2S/c1-2-8-16(9-3-1)20-13-15-7-4-10-17(19-15)14-6-5-11-18-12-14/h1-4,6-10,18H,5,11-13H2
InChIKeyVJWZMKPLCUSMHR-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine?
The IUPAC name of 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine (CID 66612778) is 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine.
What is the SMILES notation for 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine?
The canonical SMILES for 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine is C1=C(c2cccc(CSc3ccccc3)n2)CNCC1.
What is the InChIKey of 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine?
The InChIKey is VJWZMKPLCUSMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-8-16(9-3-1)20-13-15-7-4-10-17(19-15)14-6-5-11-18-12-14/h1-4,6-10,18H,5,11-13H2.
What are the key properties of 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine?
2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine has a molecular weight of 282.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine is sourced from PubChem (CID 66612778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).