1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H15F3N2O4S — CID 63710520

IUPAC1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C10H15F3N2O4S/c11-10(12,13)9(8(16)17)3-6-15(7-9)20(18,19)14-4-1-2-5-14/h1-7H2,(H,16,17)
InChIKeyZOVPTVRIMABIOM-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.67
Rot. Bonds3

About 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710520) has the molecular formula C10H15F3N2O4S and a molecular weight of 316.30 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710520
Molecular FormulaC10H15F3N2O4S
Molecular Weight316.30 g/mol
Exact Mass316.07
IUPAC Name1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C10H15F3N2O4S/c11-10(12,13)9(8(16)17)3-6-15(7-9)20(18,19)14-4-1-2-5-14/h1-7H2,(H,16,17)
InChIKeyZOVPTVRIMABIOM-UHFFFAOYSA-N
XLogP0.67
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226879
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63145757
1-(2-Pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708566
1-Piperidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709071
1-(Diethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709072
1-[Butyl(methyl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709431
1-[Methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710526
1-(3-Pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710898
3-Methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114806071
1-(Propylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806138
1-(Methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806139
1-(2,2,2-Trifluoroethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806140

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710520) is 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZOVPTVRIMABIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4S/c11-10(12,13)9(8(16)17)3-6-15(7-9)20(18,19)14-4-1-2-5-14/h1-7H2,(H,16,17).
What are the key properties of 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 316.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).