3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine

C8H14F3NO2S — CID 23227866

IUPAC3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC1CC(C)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-6-3-7(2)5-12(4-6)15(13,14)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyGNUKHHYJJUYZGA-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.81
Rot. Bonds1

About 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine

3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 23227866) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID23227866
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC1CC(C)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-6-3-7(2)5-12(4-6)15(13,14)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyGNUKHHYJJUYZGA-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine (CID 23227866) is 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine is CC1CC(C)CN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is GNUKHHYJJUYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-6-3-7(2)5-12(4-6)15(13,14)8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine?
3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 23227866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).