1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid

C8H13F3N2O4S — CID 60859394

IUPAC1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O4S/c9-8(10,11)5-12-18(16,17)13-3-1-6(2-4-13)7(14)15/h6,12H,1-5H2,(H,14,15)
InChIKeyNJNHEUHDILUVAE-UHFFFAOYSA-N
MW290.26 g/mol
LogP0.18
Rot. Bonds4

About 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid

1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 60859394) has the molecular formula C8H13F3N2O4S and a molecular weight of 290.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID60859394
Molecular FormulaC8H13F3N2O4S
Molecular Weight290.26 g/mol
Exact Mass290.05
IUPAC Name1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O4S/c9-8(10,11)5-12-18(16,17)13-3-1-6(2-4-13)7(14)15/h6,12H,1-5H2,(H,14,15)
InChIKeyNJNHEUHDILUVAE-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
3,3-Difluoropiperidine-4-carboxylic acid
CID 83480508
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-Trifluoromethanesulfonylpiperidine-4-carboxylic acid
CID 21747792
Piperidine-4-carboxylic acid trifluoroacetate salt
CID 90014521
1-[Difluoro(trifluoromethylsulfonylsulfamoyl)methyl]sulfonylpiperidine-4-carboxylic acid
CID 90329061
(R)-3,3-Difluoropiperidine-4-carboxylic acid
CID 96224755
Piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 172721323
Piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
CID 175739246
1-Difluoromethanesulfonylpiperidine-4-carboxylic acid
CID 28606741
1-(3,3,3-Trifluoropropylsulfamoyl)piperidine-4-carboxylic acid
CID 55220548

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid (CID 60859394) is 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is NJNHEUHDILUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4S/c9-8(10,11)5-12-18(16,17)13-3-1-6(2-4-13)7(14)15/h6,12H,1-5H2,(H,14,15).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid?
1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 290.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60859394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).