3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine

C11H16N2O2S2 — CID 146169220

IUPAC3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine
SMILESCSc1cccnc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H16N2O2S2/c1-16-10-6-5-7-12-11(10)17(14,15)13-8-3-2-4-9-13/h5-7H,2-4,8-9H2,1H3
InChIKeyQOTMRHURYFIUSZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.98
Rot. Bonds3

About 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine

3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine (PubChem CID 146169220) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine
PubChem CID146169220
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine
SMILESCSc1cccnc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H16N2O2S2/c1-16-10-6-5-7-12-11(10)17(14,15)13-8-3-2-4-9-13/h5-7H,2-4,8-9H2,1H3
InChIKeyQOTMRHURYFIUSZ-UHFFFAOYSA-N
XLogP1.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine (CID 146169220) is 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine is CSc1cccnc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine?
The InChIKey is QOTMRHURYFIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-16-10-6-5-7-12-11(10)17(14,15)13-8-3-2-4-9-13/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine?
3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine has a molecular weight of 272.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 146169220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).