2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine

C12H18N2S — CID 123718410

IUPAC2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
SMILESCSC1CCN(c2ccc(C)nc2)CC1
InChIInChI=1S/C12H18N2S/c1-10-3-4-11(9-13-10)14-7-5-12(15-2)6-8-14/h3-4,9,12H,5-8H2,1-2H3
InChIKeyWFVSMSWQRWTVAN-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.72
Rot. Bonds2

About 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine

2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine (PubChem CID 123718410) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
PubChem CID123718410
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
SMILESCSC1CCN(c2ccc(C)nc2)CC1
InChIInChI=1S/C12H18N2S/c1-10-3-4-11(9-13-10)14-7-5-12(15-2)6-8-14/h3-4,9,12H,5-8H2,1-2H3
InChIKeyWFVSMSWQRWTVAN-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine?
The IUPAC name of 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine (CID 123718410) is 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine is CSC1CCN(c2ccc(C)nc2)CC1.
What is the InChIKey of 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine?
The InChIKey is WFVSMSWQRWTVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-3-4-11(9-13-10)14-7-5-12(15-2)6-8-14/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine?
2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine has a molecular weight of 222.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine is sourced from PubChem (CID 123718410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).