3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine

C13H20N2S — CID 102542304

IUPAC3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1C1CCCCN1
InChIInChI=1S/C13H20N2S/c1-10(2)16-13-11(6-5-9-15-13)12-7-3-4-8-14-12/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3
InChIKeyINBHTBAWCHASFT-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.40
Rot. Bonds3

About 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine

3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine (PubChem CID 102542304) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
PubChem CID102542304
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1C1CCCCN1
InChIInChI=1S/C13H20N2S/c1-10(2)16-13-11(6-5-9-15-13)12-7-3-4-8-14-12/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3
InChIKeyINBHTBAWCHASFT-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine (CID 102542304) is 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine is CC(C)Sc1ncccc1C1CCCCN1.
What is the InChIKey of 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine?
The InChIKey is INBHTBAWCHASFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(2)16-13-11(6-5-9-15-13)12-7-3-4-8-14-12/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine?
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine has a molecular weight of 236.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 102542304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).