2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide

C7H13F3N2O2S — CID 168791227

IUPAC2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide
SMILESNS(=O)(=O)C(C1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(15(11,13)14)5-2-1-3-12-4-5/h5-6,12H,1-4H2,(H2,11,13,14)
InChIKeyIJQMUQIUHZZEQI-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.21
Rot. Bonds2

About 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide

2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide (PubChem CID 168791227) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide
PubChem CID168791227
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide
SMILESNS(=O)(=O)C(C1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(15(11,13)14)5-2-1-3-12-4-5/h5-6,12H,1-4H2,(H2,11,13,14)
InChIKeyIJQMUQIUHZZEQI-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide
CID 114827695
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
3-(2-bromo-1,2,2-trifluoroethyl)piperidine
CID 107140632
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
cyclopropyl-[(3R)-piperidin-3-yl]methanamine
CID 70133311
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
2,2-dimethyl-1-piperidin-3-ylpropan-1-amine
CID 116935763
piperidin-3-ylmethanediol
CID 5231808
3-[cyclobutyl(fluoro)methyl]piperidine;hydrochloride
CID 115058477
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
1-amino-1-piperidin-3-ylpropan-2-one
CID 129030594
N-(1-piperidin-3-ylethyl)piperidine-1-sulfonamide
CID 43523454

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide (CID 168791227) is 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide is NS(=O)(=O)C(C1CCCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide?
The InChIKey is IJQMUQIUHZZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)6(15(11,13)14)5-2-1-3-12-4-5/h5-6,12H,1-4H2,(H2,11,13,14).
What are the key properties of 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide?
2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperidin-3-ylethanesulfonamide is sourced from PubChem (CID 168791227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).