1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid

C6H9F3N2O4S — CID 114806245

IUPAC1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O4S/c7-6(8,9)3-10-16(14,15)11-1-4(2-11)5(12)13/h4,10H,1-3H2,(H,12,13)
InChIKeyTVYDKWBYQSIGFM-UHFFFAOYSA-N
MW262.21 g/mol
LogP-0.60
Rot. Bonds4

About 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid

1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid (PubChem CID 114806245) has the molecular formula C6H9F3N2O4S and a molecular weight of 262.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
PubChem CID114806245
Molecular FormulaC6H9F3N2O4S
Molecular Weight262.21 g/mol
Exact Mass262.02
IUPAC Name1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O4S/c7-6(8,9)3-10-16(14,15)11-1-4(2-11)5(12)13/h4,10H,1-3H2,(H,12,13)
InChIKeyTVYDKWBYQSIGFM-UHFFFAOYSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Sulfamoylazetidine-3-carboxylic acid
CID 114958899
Azetidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 161699376
3-Methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890535
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 65684305
3-[Methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoic acid
CID 65685000
3-[Methyl(2,2,3,3-tetrafluoropropylsulfamoyl)amino]propanoic acid
CID 114169177
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 114805726
2-Methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 114805835
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid
CID 114805975
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806332
3-[2,2-Difluoroethylsulfamoyl(methyl)amino]propanoic acid
CID 115405555
1-(Propylsulfamoyl)azetidine-3-carboxylic acid
CID 114806243

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid (CID 114806245) is 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid is O=C(O)C1CN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid?
The InChIKey is TVYDKWBYQSIGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O4S/c7-6(8,9)3-10-16(14,15)11-1-4(2-11)5(12)13/h4,10H,1-3H2,(H,12,13).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid?
1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid has a molecular weight of 262.21 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfamoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 114806245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).