3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine

C11H22FNO2S — CID 106735924

IUPAC3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine
SMILESCCS(=O)(=O)CCC(C)(F)C1CCCNC1
InChIInChI=1S/C11H22FNO2S/c1-3-16(14,15)8-6-11(2,12)10-5-4-7-13-9-10/h10,13H,3-9H2,1-2H3
InChIKeyQGALZQWHDFFXEC-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.54
Rot. Bonds5

About 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine

3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine (PubChem CID 106735924) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine.

Molecular Properties

Compound Name3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine
PubChem CID106735924
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine
SMILESCCS(=O)(=O)CCC(C)(F)C1CCCNC1
InChIInChI=1S/C11H22FNO2S/c1-3-16(14,15)8-6-11(2,12)10-5-4-7-13-9-10/h10,13H,3-9H2,1-2H3
InChIKeyQGALZQWHDFFXEC-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine?
The IUPAC name of 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine (CID 106735924) is 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine.
What is the SMILES notation for 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine?
The canonical SMILES for 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine is CCS(=O)(=O)CCC(C)(F)C1CCCNC1.
What is the InChIKey of 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine?
The InChIKey is QGALZQWHDFFXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-3-16(14,15)8-6-11(2,12)10-5-4-7-13-9-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine?
3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonyl-2-fluorobutan-2-yl)piperidine is sourced from PubChem (CID 106735924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).