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

C11H19F3N2O4S — CID 60951307

IUPAC1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-8(2)16(7-11(12,13)14)21(19,20)15-5-3-9(4-6-15)10(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyAWRFVEGDRBUVJA-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.30
Rot. Bonds5

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

1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60951307) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60951307
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-8(2)16(7-11(12,13)14)21(19,20)15-5-3-9(4-6-15)10(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyAWRFVEGDRBUVJA-UHFFFAOYSA-N
XLogP1.30
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(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-Trifluoromethanesulfonylpiperidine-4-carboxylicacid
CID 21747792
1-(1,1,1-Trifluoropropan-2-yl)piperidine-4-carboxylic acid
CID 121379714
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
CID 121389485
Ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
CID 145094765
1-Methylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159105464
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-ethylbutanoic acid
CID 159503206
(2S)-4-(4,4-difluoropiperidin-1-yl)-2-ethylbutanoic acid
CID 162115122
(2S)-1-tert-butylsulfonyl-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 163295587

Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60951307) is 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is AWRFVEGDRBUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-8(2)16(7-11(12,13)14)21(19,20)15-5-3-9(4-6-15)10(17)18/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 332.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60951307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).