2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C14H18F3NO2S — CID 3253254

IUPAC2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2S/c1-10-5-3-6-11(2)18(10)21(19,20)13-8-4-7-12(9-13)14(15,16)17/h4,7-11H,3,5-6H2,1-2H3
InChIKeyOFAAQNBZBCYXBJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.66
Rot. Bonds2

About 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 3253254) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID3253254
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2S/c1-10-5-3-6-11(2)18(10)21(19,20)13-8-4-7-12(9-13)14(15,16)17/h4,7-11H,3,5-6H2,1-2H3
InChIKeyOFAAQNBZBCYXBJ-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 107070709
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
(2R,3R)-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122105471
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526975
1,8-dimethyl-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4844120
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990859
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64644682

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 3253254) is 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is CC1CCCC(C)N1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is OFAAQNBZBCYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-10-5-3-6-11(2)18(10)21(19,20)13-8-4-7-12(9-13)14(15,16)17/h4,7-11H,3,5-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 321.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 3253254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).