3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine

C11H15FN2O2S — CID 47084850

IUPAC3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-9-4-2-3-5-14(9)17(15,16)11-6-10(12)7-13-8-11/h6-9H,2-5H2,1H3
InChIKeyLHKSVSKUBPSIGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds2

About 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine

3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 47084850) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID47084850
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-9-4-2-3-5-14(9)17(15,16)11-6-10(12)7-13-8-11/h6-9H,2-5H2,1H3
InChIKeyLHKSVSKUBPSIGW-UHFFFAOYSA-N
XLogP1.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine (CID 47084850) is 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine is CC1CCCCN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is LHKSVSKUBPSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-9-4-2-3-5-14(9)17(15,16)11-6-10(12)7-13-8-11/h6-9H,2-5H2,1H3.
What are the key properties of 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 258.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 47084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).