1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid

C11H18F3NO4S — CID 83068774

IUPAC1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-10(9(16)17)5-2-4-8(10)15-20(18,19)7-3-6-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyZVCJYGHDFJJZEJ-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.89
Rot. Bonds6

About 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 83068774) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID83068774
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Name1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-10(9(16)17)5-2-4-8(10)15-20(18,19)7-3-6-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyZVCJYGHDFJJZEJ-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid (CID 83068774) is 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZVCJYGHDFJJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4S/c1-10(9(16)17)5-2-4-8(10)15-20(18,19)7-3-6-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 317.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83068774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).