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

C11H19F3N2O4S — CID 60952455

IUPAC1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-2-5-16(8-11(12,13)14)21(19,20)15-6-3-9(4-7-15)10(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyYJZBFGAQFAZRMW-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.30
Rot. Bonds6

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

1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60952455) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60952455
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-2-5-16(8-11(12,13)14)21(19,20)15-6-3-9(4-7-15)10(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyYJZBFGAQFAZRMW-UHFFFAOYSA-N
XLogP1.30
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.30
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-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-Trifluoromethanesulfonylpiperidine-4-carboxylicacid
CID 21747792
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
1-(5,5,5-Trifluoropentyl)piperidine-4-carboxylic acid
CID 67263543
1-[Difluoro(trifluoromethylsulfonylsulfamoyl)methyl]sulfonylpiperidine-4-carboxylic acid
CID 90329061
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
CID 121389485

Frequently Asked Questions

What is the IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60952455) is 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid is CCCN(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is YJZBFGAQFAZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-2-5-16(8-11(12,13)14)21(19,20)15-6-3-9(4-7-15)10(17)18/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 332.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60952455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).