2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C9H16F3NO4S — CID 79792275

IUPAC2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(C)CS(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H16F3NO4S/c1-7(2,3)5-18(16,17)13-8(4,6(14)15)9(10,11)12/h13H,5H2,1-4H3,(H,14,15)
InChIKeyDCJZMZLCPKCKQM-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.36
Rot. Bonds4

About 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792275) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792275
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(C)CS(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H16F3NO4S/c1-7(2,3)5-18(16,17)13-8(4,6(14)15)9(10,11)12/h13H,5H2,1-4H3,(H,14,15)
InChIKeyDCJZMZLCPKCKQM-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792275) is 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(C)(C)CS(=O)(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is DCJZMZLCPKCKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-7(2,3)5-18(16,17)13-8(4,6(14)15)9(10,11)12/h13H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 291.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).