1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C7H11F3N2O4S — CID 114806139

IUPAC1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O4S/c1-11-17(15,16)12-3-2-6(4-12,5(13)14)7(8,9)10/h11H,2-4H2,1H3,(H,13,14)
InChIKeyGSLOCNWEEVMLBL-UHFFFAOYSA-N
MW276.24 g/mol
LogP-0.21
Rot. Bonds3

About 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 114806139) has the molecular formula C7H11F3N2O4S and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID114806139
Molecular FormulaC7H11F3N2O4S
Molecular Weight276.24 g/mol
Exact Mass276.04
IUPAC Name1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O4S/c1-11-17(15,16)12-3-2-6(4-12,5(13)14)7(8,9)10/h11H,2-4H2,1H3,(H,13,14)
InChIKeyGSLOCNWEEVMLBL-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 114806139) is 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CNS(=O)(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GSLOCNWEEVMLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O4S/c1-11-17(15,16)12-3-2-6(4-12,5(13)14)7(8,9)10/h11H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 276.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114806139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).