1-methylsulfonyl-3-(trifluoromethoxy)piperidine

C7H12F3NO3S — CID 169117342

IUPAC1-methylsulfonyl-3-(trifluoromethoxy)piperidine
SMILESCS(=O)(=O)N1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO3S/c1-15(12,13)11-4-2-3-6(5-11)14-7(8,9)10/h6H,2-5H2,1H3
InChIKeyXLDUYGGHKVMMCU-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.95
Rot. Bonds2

About 1-methylsulfonyl-3-(trifluoromethoxy)piperidine

1-methylsulfonyl-3-(trifluoromethoxy)piperidine (PubChem CID 169117342) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(trifluoromethoxy)piperidine
PubChem CID169117342
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name1-methylsulfonyl-3-(trifluoromethoxy)piperidine
SMILESCS(=O)(=O)N1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO3S/c1-15(12,13)11-4-2-3-6(5-11)14-7(8,9)10/h6H,2-5H2,1H3
InChIKeyXLDUYGGHKVMMCU-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethylsulfonyl)piperidin-3-ol
CID 43502938
4-Fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450198
2-Methyl-4-(trifluoromethylsulfonyl)morpholine
CID 166683997
[1-(Difluoromethylsulfonyl)piperidin-3-yl] acetate
CID 176273816
(3R)-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 176273897
1-(Trifluoromethylsulfonyl)piperidin-3-ol
CID 43502928
3-Trifluoromethoxy-piperidine-1-sulfonyl chloride
CID 75406444
(3S)-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 107225016
(3S)-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 107225028
3-Methoxy-1-methylsulfonylpiperidine
CID 58826606
(1-Methylsulfonylpiperidin-3-yl) hypoiodite
CID 132127232
(3R)-3-butoxy-1-methylsulfonylpiperidine
CID 134553424

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(trifluoromethoxy)piperidine?
The IUPAC name of 1-methylsulfonyl-3-(trifluoromethoxy)piperidine (CID 169117342) is 1-methylsulfonyl-3-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-methylsulfonyl-3-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-methylsulfonyl-3-(trifluoromethoxy)piperidine is CS(=O)(=O)N1CCCC(OC(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-3-(trifluoromethoxy)piperidine?
The InChIKey is XLDUYGGHKVMMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-15(12,13)11-4-2-3-6(5-11)14-7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 1-methylsulfonyl-3-(trifluoromethoxy)piperidine?
1-methylsulfonyl-3-(trifluoromethoxy)piperidine has a molecular weight of 247.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(trifluoromethoxy)piperidine is sourced from PubChem (CID 169117342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).