2-methyl-5-piperidin-4-ylsulfanylpyridine

C11H16N2S — CID 166120275

IUPAC2-methyl-5-piperidin-4-ylsulfanylpyridine
SMILESCc1ccc(SC2CCNCC2)cn1
InChIInChI=1S/C11H16N2S/c1-9-2-3-11(8-13-9)14-10-4-6-12-7-5-10/h2-3,8,10,12H,4-7H2,1H3
InChIKeyLILBKHAAMSJUFE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.23
Rot. Bonds2

About 2-methyl-5-piperidin-4-ylsulfanylpyridine

2-methyl-5-piperidin-4-ylsulfanylpyridine (PubChem CID 166120275) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylsulfanylpyridine.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylsulfanylpyridine
PubChem CID166120275
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-methyl-5-piperidin-4-ylsulfanylpyridine
SMILESCc1ccc(SC2CCNCC2)cn1
InChIInChI=1S/C11H16N2S/c1-9-2-3-11(8-13-9)14-10-4-6-12-7-5-10/h2-3,8,10,12H,4-7H2,1H3
InChIKeyLILBKHAAMSJUFE-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-ylsulfanylpyridine?
The IUPAC name of 2-methyl-5-piperidin-4-ylsulfanylpyridine (CID 166120275) is 2-methyl-5-piperidin-4-ylsulfanylpyridine.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylsulfanylpyridine?
The canonical SMILES for 2-methyl-5-piperidin-4-ylsulfanylpyridine is Cc1ccc(SC2CCNCC2)cn1.
What is the InChIKey of 2-methyl-5-piperidin-4-ylsulfanylpyridine?
The InChIKey is LILBKHAAMSJUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-2-3-11(8-13-9)14-10-4-6-12-7-5-10/h2-3,8,10,12H,4-7H2,1H3.
What are the key properties of 2-methyl-5-piperidin-4-ylsulfanylpyridine?
2-methyl-5-piperidin-4-ylsulfanylpyridine has a molecular weight of 208.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-ylsulfanylpyridine is sourced from PubChem (CID 166120275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).