2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine

C13H20N2S — CID 58762866

IUPAC2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine
SMILESCCC1CC(Sc2ccccn2)CCN1C
InChIInChI=1S/C13H20N2S/c1-3-11-10-12(7-9-15(11)2)16-13-6-4-5-8-14-13/h4-6,8,11-12H,3,7,9-10H2,1-2H3
InChIKeyAVNMSHUWVXVRBC-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.05
Rot. Bonds3

About 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine

2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine (PubChem CID 58762866) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine
PubChem CID58762866
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine
SMILESCCC1CC(Sc2ccccn2)CCN1C
InChIInChI=1S/C13H20N2S/c1-3-11-10-12(7-9-15(11)2)16-13-6-4-5-8-14-13/h4-6,8,11-12H,3,7,9-10H2,1-2H3
InChIKeyAVNMSHUWVXVRBC-UHFFFAOYSA-N
XLogP3.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine?
The IUPAC name of 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine (CID 58762866) is 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine.
What is the SMILES notation for 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine?
The canonical SMILES for 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine is CCC1CC(Sc2ccccn2)CCN1C.
What is the InChIKey of 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine?
The InChIKey is AVNMSHUWVXVRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-3-11-10-12(7-9-15(11)2)16-13-6-4-5-8-14-13/h4-6,8,11-12H,3,7,9-10H2,1-2H3.
What are the key properties of 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine?
2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine has a molecular weight of 236.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine is sourced from PubChem (CID 58762866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).