3-ethyl-1-(trifluoromethylsulfonyl)piperidine

C8H14F3NO2S — CID 163395486

IUPAC3-ethyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCCC1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-2-7-4-3-5-12(6-7)15(13,14)8(9,10)11/h7H,2-6H2,1H3
InChIKeyRTZGINRWOSHZOK-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.96
Rot. Bonds2

About 3-ethyl-1-(trifluoromethylsulfonyl)piperidine

3-ethyl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 163395486) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-ethyl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-ethyl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID163395486
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name3-ethyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCCC1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-2-7-4-3-5-12(6-7)15(13,14)8(9,10)11/h7H,2-6H2,1H3
InChIKeyRTZGINRWOSHZOK-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(trifluoromethylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 3-ethyl-1-(trifluoromethylsulfonyl)piperidine (CID 163395486) is 3-ethyl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3-ethyl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 3-ethyl-1-(trifluoromethylsulfonyl)piperidine is CCC1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is RTZGINRWOSHZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-2-7-4-3-5-12(6-7)15(13,14)8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-1-(trifluoromethylsulfonyl)piperidine?
3-ethyl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 163395486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).