3-(trifluoromethylsulfonylmethyl)piperidine

C7H12F3NO2S — CID 157475885

IUPAC3-(trifluoromethylsulfonylmethyl)piperidine
SMILESO=S(=O)(CC1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)5-6-2-1-3-11-4-6/h6,11H,1-5H2
InChIKeyBVOXIMWATJVKBH-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.92
Rot. Bonds2

About 3-(trifluoromethylsulfonylmethyl)piperidine

3-(trifluoromethylsulfonylmethyl)piperidine (PubChem CID 157475885) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylmethyl)piperidine
PubChem CID157475885
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name3-(trifluoromethylsulfonylmethyl)piperidine
SMILESO=S(=O)(CC1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)5-6-2-1-3-11-4-6/h6,11H,1-5H2
InChIKeyBVOXIMWATJVKBH-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546
4-((Methylsulfonyl)methyl)piperidine
CID 22275402
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407
(+/-)-trans-3-Fluoro-4-methanesulfonylpiperidine
CID 90183736
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CID 105464840
(Piperidin-3-yl)methanesulfonyl fluoride
CID 115015874
(3S,4S)-3-fluoro-4-methylsulfonylpiperidine
CID 118661716
3-Fluoro-4-methylsulfonylpiperidine
CID 123233741
4-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl)piperidine
CID 151163916
4-Difluoromethanesulfonylpiperidine
CID 154814547
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylmethyl)piperidine?
The IUPAC name of 3-(trifluoromethylsulfonylmethyl)piperidine (CID 157475885) is 3-(trifluoromethylsulfonylmethyl)piperidine.
What is the SMILES notation for 3-(trifluoromethylsulfonylmethyl)piperidine?
The canonical SMILES for 3-(trifluoromethylsulfonylmethyl)piperidine is O=S(=O)(CC1CCCNC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylmethyl)piperidine?
The InChIKey is BVOXIMWATJVKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)5-6-2-1-3-11-4-6/h6,11H,1-5H2.
What are the key properties of 3-(trifluoromethylsulfonylmethyl)piperidine?
3-(trifluoromethylsulfonylmethyl)piperidine has a molecular weight of 231.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylmethyl)piperidine is sourced from PubChem (CID 157475885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).