3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid

C10H16F3NO4S — CID 83068331

IUPAC3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-5-19(17,18)14-8-3-2-7(6-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyRLDRYGCGFUIBNV-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds6

About 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid

3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 83068331) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID83068331
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-5-19(17,18)14-8-3-2-7(6-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyRLDRYGCGFUIBNV-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid (CID 83068331) is 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RLDRYGCGFUIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-5-19(17,18)14-8-3-2-7(6-8)9(15)16/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83068331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).