3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine

C13H25FN2O2S — CID 106635089

IUPAC3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC(F)C2CCCCN2)C1
InChIInChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-4-5-11(10-16)9-12(14)13-6-2-3-7-15-13/h11-13,15H,2-10H2,1H3
InChIKeyZKKJYWQAIKOQLQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.53
Rot. Bonds4

About 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine

3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine (PubChem CID 106635089) has the molecular formula C13H25FN2O2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine
PubChem CID106635089
Molecular FormulaC13H25FN2O2S
Molecular Weight292.42 g/mol
Exact Mass292.16
IUPAC Name3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC(F)C2CCCCN2)C1
InChIInChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-4-5-11(10-16)9-12(14)13-6-2-3-7-15-13/h11-13,15H,2-10H2,1H3
InChIKeyZKKJYWQAIKOQLQ-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine (CID 106635089) is 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCC(CC(F)C2CCCCN2)C1.
What is the InChIKey of 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine?
The InChIKey is ZKKJYWQAIKOQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-4-5-11(10-16)9-12(14)13-6-2-3-7-15-13/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine?
3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine has a molecular weight of 292.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-piperidin-2-ylethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 106635089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).