[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate

C10H18F3NO4S — CID 88911495

IUPAC[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-5-7(2)8(15)18-6-9(3,4)14-19(16,17)10(11,12)13/h7,14H,5-6H2,1-4H3
InChIKeyXNVGWFDGSZFOTO-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.79
Rot. Bonds6

About [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate

[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate (PubChem CID 88911495) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate.

Molecular Properties

Compound Name[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate
PubChem CID88911495
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-5-7(2)8(15)18-6-9(3,4)14-19(16,17)10(11,12)13/h7,14H,5-6H2,1-4H3
InChIKeyXNVGWFDGSZFOTO-UHFFFAOYSA-N
XLogP1.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate?
The IUPAC name of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate (CID 88911495) is [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate.
What is the SMILES notation for [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate?
The canonical SMILES for [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate is CCC(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate?
The InChIKey is XNVGWFDGSZFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-5-7(2)8(15)18-6-9(3,4)14-19(16,17)10(11,12)13/h7,14H,5-6H2,1-4H3.
What are the key properties of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate?
[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate has a molecular weight of 305.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate is sourced from PubChem (CID 88911495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).