methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate

C8H15F3N2O4S — CID 114811552

IUPACmethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-6(2)13(4-7(14)17-3)18(15,16)12-5-8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyNXMNUIRZFZXCEG-UHFFFAOYSA-N
MW292.28 g/mol
LogP0.27
Rot. Bonds6

About methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate

methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate (PubChem CID 114811552) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
PubChem CID114811552
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-6(2)13(4-7(14)17-3)18(15,16)12-5-8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyNXMNUIRZFZXCEG-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate (CID 114811552) is methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate is COC(=O)CN(C(C)C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The InChIKey is NXMNUIRZFZXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O4S/c1-6(2)13(4-7(14)17-3)18(15,16)12-5-8(9,10)11/h6,12H,4-5H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate has a molecular weight of 292.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate is sourced from PubChem (CID 114811552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).