1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid

C9H15F3N2O4S — CID 60891373

IUPAC1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15F3N2O4S/c1-13(6-9(10,11)12)19(17,18)14-4-2-3-7(5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyUPEUPGJNXRBGRV-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.52
Rot. Bonds4

About 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid

1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60891373) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60891373
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC Name1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H15F3N2O4S/c1-13(6-9(10,11)12)19(17,18)14-4-2-3-7(5-14)8(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyUPEUPGJNXRBGRV-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-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid
CID 60859395
1-(Piperidine-1-sulfonyl)piperidine-3-carboxylic acid
CID 6623317
1-Sulfamoylpiperidine-3-carboxylic acid
CID 24694898
1-Trifluoromethanesulfonylpiperidine-3-carboxylic acid
CID 43361305
1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid hydrochloride
CID 71757212
1-(Fluorosulfonyl)piperidine-3-carboxylic acid
CID 165726908
1-[(3,5-Dimethylpiperidin-1-yl)sulfonyl]piperidine-3-carboxylic acid
CID 3415420
1-[(4-Methylpiperidino)sulfonyl]-3-piperidinecarboxylic acid
CID 4373355
1-[Cyclohexyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 6623385
1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid
CID 19622793
(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 28160828
1-(2,2,2-Trifluoroacetyl)oxypiperidine-3-carboxylic acid
CID 57213267

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60891373) is 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid is CN(CC(F)(F)F)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is UPEUPGJNXRBGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4S/c1-13(6-9(10,11)12)19(17,18)14-4-2-3-7(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-3-carboxylic acid?
1-[methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 60891373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).