5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine

C11H16N2S — CID 89100449

IUPAC5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine
SMILESCc1ccc(C2CCCN(S)C2)nc1
InChIInChI=1S/C11H16N2S/c1-9-4-5-11(12-7-9)10-3-2-6-13(14)8-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyLNFNBLYIFRGXQE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.41
Rot. Bonds1

About 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine

5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine (PubChem CID 89100449) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine
PubChem CID89100449
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine
SMILESCc1ccc(C2CCCN(S)C2)nc1
InChIInChI=1S/C11H16N2S/c1-9-4-5-11(12-7-9)10-3-2-6-13(14)8-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyLNFNBLYIFRGXQE-UHFFFAOYSA-N
XLogP2.41
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine?
The IUPAC name of 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine (CID 89100449) is 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine.
What is the SMILES notation for 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine?
The canonical SMILES for 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine is Cc1ccc(C2CCCN(S)C2)nc1.
What is the InChIKey of 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine?
The InChIKey is LNFNBLYIFRGXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-4-5-11(12-7-9)10-3-2-6-13(14)8-10/h4-5,7,10,14H,2-3,6,8H2,1H3.
What are the key properties of 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine?
5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine has a molecular weight of 208.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine is sourced from PubChem (CID 89100449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).