1-ethylsulfonyl-3-(trifluoromethyl)piperidine

C8H14F3NO2S — CID 61362262

IUPAC1-ethylsulfonyl-3-(trifluoromethyl)piperidine
SMILESCCS(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-2-15(13,14)12-5-3-4-7(6-12)8(9,10)11/h7H,2-6H2,1H3
InChIKeyFKGNBUGYLBEVKN-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.61
Rot. Bonds2

About 1-ethylsulfonyl-3-(trifluoromethyl)piperidine

1-ethylsulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 61362262) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(trifluoromethyl)piperidine
PubChem CID61362262
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name1-ethylsulfonyl-3-(trifluoromethyl)piperidine
SMILESCCS(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-2-15(13,14)12-5-3-4-7(6-12)8(9,10)11/h7H,2-6H2,1H3
InChIKeyFKGNBUGYLBEVKN-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-ethylsulfonyl-3-(trifluoromethyl)piperidine (CID 61362262) is 1-ethylsulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-(trifluoromethyl)piperidine is CCS(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is FKGNBUGYLBEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-2-15(13,14)12-5-3-4-7(6-12)8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-(trifluoromethyl)piperidine?
1-ethylsulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 61362262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).