4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid

C8H15F3N2O4S — CID 114805884

IUPAC4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-7(2,4-3-6(14)15)13-18(16,17)12-5-8(9,10)11/h12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyORMYXUSDCMBSAT-UHFFFAOYSA-N
MW292.28 g/mol
LogP0.62
Rot. Bonds7

About 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid

4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid (PubChem CID 114805884) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
PubChem CID114805884
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Name4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-7(2,4-3-6(14)15)13-18(16,17)12-5-8(9,10)11/h12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyORMYXUSDCMBSAT-UHFFFAOYSA-N
XLogP0.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid (CID 114805884) is 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
The InChIKey is ORMYXUSDCMBSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O4S/c1-7(2,4-3-6(14)15)13-18(16,17)12-5-8(9,10)11/h12-13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid has a molecular weight of 292.28 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).