1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid

C9H15F3N2O4S — CID 63226081

IUPAC1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O4S/c10-9(11,12)3-4-13-19(17,18)14-5-1-2-7(6-14)8(15)16/h7,13H,1-6H2,(H,15,16)
InChIKeyHFDJCTNPRAODMB-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.57
Rot. Bonds5

About 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid

1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 63226081) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID63226081
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC Name1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O4S/c10-9(11,12)3-4-13-19(17,18)14-5-1-2-7(6-14)8(15)16/h7,13H,1-6H2,(H,15,16)
InChIKeyHFDJCTNPRAODMB-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoropiperidine-3-carboxylic acid hydrochloride
CID 84721379
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid
CID 60859395
4,4-Difluoropiperidine-3-carboxylic acid
CID 54594753
1-Sulfamoylpiperidine-3-carboxylic acid
CID 24694898
1-Trifluoromethanesulfonylpiperidine-3-carboxylic acid
CID 43361305
rac-(3R,5R)-5-(trifluoromethyl)piperidine-3-carboxylic acid hydrochloride
CID 165687494
rac-(3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylic acid hydrochloride
CID 165877350
4-(Trifluoromethyl)piperidine-3-carboxylic acid
CID 49761077
5,5-Difluoropiperidine-3-carboxylic acid
CID 55296737
3-Piperidinecarboxylicacid,4-(trifluoromethyl)-,(3R,4R)-
CID 58557704
cis-4-(Trifluoromethyl)piperidine-3-carboxylic acid
CID 67216944
(3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 68054844

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid (CID 63226081) is 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is HFDJCTNPRAODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4S/c10-9(11,12)3-4-13-19(17,18)14-5-1-2-7(6-14)8(15)16/h7,13H,1-6H2,(H,15,16).
What are the key properties of 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid?
1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 304.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63226081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).