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'}

Analyze 5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
CID 140789844
2-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanol
CID 73440472
2-cyclohexyl-5-methylpyridine
CID 83382376
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
CID 121450458
5-methyl-2-(oxetan-3-yl)pyridine
CID 147825882
2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine
CID 54260591
cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
CID 97036881

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).