(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol

C7H12F3NO3S — CID 176688190

IUPAC(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
SMILESC[C@H]1CCN(S(=O)(=O)C(F)(F)F)C[C@H]1O
InChIInChI=1S/C7H12F3NO3S/c1-5-2-3-11(4-6(5)12)15(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyWRKRVOALUSRZKN-NTSWFWBYSA-N
MW247.24 g/mol
LogP0.54
Rot. Bonds1

About (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol

(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol (PubChem CID 176688190) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
PubChem CID176688190
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
SMILESC[C@H]1CCN(S(=O)(=O)C(F)(F)F)C[C@H]1O
InChIInChI=1S/C7H12F3NO3S/c1-5-2-3-11(4-6(5)12)15(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyWRKRVOALUSRZKN-NTSWFWBYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethylsulfonyl)piperidin-3-ol
CID 43502938
(3R,4R,5S)-5-(Difluoromethyl)-1-(methanesulfonyl)piperidine 3,4-diol
CID 51356757
1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
4-Fluoro-1-methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)piperidine
CID 67402461
2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
CID 70886776
5-(Difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
CID 75631488
3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123502959
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174
5-(Difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716175
(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716215
(5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716235
(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
CID 134386645

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol (CID 176688190) is (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol is C[C@H]1CCN(S(=O)(=O)C(F)(F)F)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol?
The InChIKey is WRKRVOALUSRZKN-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-5-2-3-11(4-6(5)12)15(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol?
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol has a molecular weight of 247.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 176688190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).