1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid

C9H15F3N2O4S — CID 60891179

IUPAC1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15F3N2O4S/c1-13(6-9(10,11)12)19(17,18)14-4-2-7(3-5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyXATJMNJOGPHAHO-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.52
Rot. Bonds4

About 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid

1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60891179) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60891179
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC Name1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15F3N2O4S/c1-13(6-9(10,11)12)19(17,18)14-4-2-7(3-5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyXATJMNJOGPHAHO-UHFFFAOYSA-N
XLogP0.52
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CID 60859394
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid
CID 19622790
1-Trifluoromethanesulfonylpiperidine-4-carboxylicacid
CID 21747792
Sodium 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527730
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
1-(3,3,3-Trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-[Difluoro(trifluoromethylsulfonylsulfamoyl)methyl]sulfonylpiperidine-4-carboxylic acid
CID 90329061

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60891179) is 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid is CN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is XATJMNJOGPHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4S/c1-13(6-9(10,11)12)19(17,18)14-4-2-7(3-5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 304.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60891179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).