1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H17F3N2O4S — CID 63710526

IUPAC1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C)S(=O)(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O4S/c1-7(2)14(3)20(18,19)15-5-4-9(6-15,8(16)17)10(11,12)13/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyRRGRPJONWYTSAH-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.91
Rot. Bonds4

About 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710526) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710526
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C)S(=O)(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O4S/c1-7(2)14(3)20(18,19)15-5-4-9(6-15,8(16)17)10(11,12)13/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyRRGRPJONWYTSAH-UHFFFAOYSA-N
XLogP0.91
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 178951391
1-(Dimethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226879
1-(Difluoromethylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63145711
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63145757
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708177
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-Propan-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709465
1-Butyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709817
1-(3,3-Dimethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710189
1-Pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710520

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710526) is 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC(C)N(C)S(=O)(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RRGRPJONWYTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c1-7(2)14(3)20(18,19)15-5-4-9(6-15,8(16)17)10(11,12)13/h7H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 318.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).