3-methyl-1-(trifluoromethylsulfonyl)piperidine

C7H12F3NO2S — CID 23227876

IUPAC3-methyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-6-3-2-4-11(5-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3
InChIKeyPZPQVIYAIZITRI-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.57
Rot. Bonds1

About 3-methyl-1-(trifluoromethylsulfonyl)piperidine

3-methyl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 23227876) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 3-methyl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID23227876
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name3-methyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-6-3-2-4-11(5-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3
InChIKeyPZPQVIYAIZITRI-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 3-methyl-1-(trifluoromethylsulfonyl)piperidine (CID 23227876) is 3-methyl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3-methyl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 3-methyl-1-(trifluoromethylsulfonyl)piperidine is CC1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is PZPQVIYAIZITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-6-3-2-4-11(5-6)14(12,13)7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(trifluoromethylsulfonyl)piperidine?
3-methyl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 231.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 23227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).