1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide

C8H12F4N2O5S2 — CID 90268249

IUPAC1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=C(C(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F4N2O5S2/c9-6(7(15)14-4-2-1-3-5-14)20(16,17)13-21(18,19)8(10,11)12/h6,13H,1-5H2
InChIKeyUKVNPBRKUWIFCK-UHFFFAOYSA-N
MW356.32 g/mol
LogP0.06
Rot. Bonds4

About 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide

1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 90268249) has the molecular formula C8H12F4N2O5S2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID90268249
Molecular FormulaC8H12F4N2O5S2
Molecular Weight356.32 g/mol
Exact Mass356.01
IUPAC Name1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=C(C(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F4N2O5S2/c9-6(7(15)14-4-2-1-3-5-14)20(16,17)13-21(18,19)8(10,11)12/h6,13H,1-5H2
InChIKeyUKVNPBRKUWIFCK-UHFFFAOYSA-N
XLogP0.06
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 90268249) is 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide is O=C(C(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is UKVNPBRKUWIFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O5S2/c9-6(7(15)14-4-2-1-3-5-14)20(16,17)13-21(18,19)8(10,11)12/h6,13H,1-5H2.
What are the key properties of 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 356.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-oxo-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 90268249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).