1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine

C11H20F3NO2S — CID 147954141

IUPAC1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine
SMILESCC(C)(C)N1CCC(CS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-10(2,3)15-6-4-9(5-7-15)8-18(16,17)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyIOEWRJYBURGHHR-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.43
Rot. Bonds2

About 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine

1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine (PubChem CID 147954141) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine
PubChem CID147954141
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine
SMILESCC(C)(C)N1CCC(CS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-10(2,3)15-6-4-9(5-7-15)8-18(16,17)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyIOEWRJYBURGHHR-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine (CID 147954141) is 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine is CC(C)(C)N1CCC(CS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine?
The InChIKey is IOEWRJYBURGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-10(2,3)15-6-4-9(5-7-15)8-18(16,17)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine?
1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine is sourced from PubChem (CID 147954141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).