methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate

C8H15F3N2O4S — CID 114811561

IUPACmethyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-13(5-3-4-7(14)17-2)18(15,16)12-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyOUYXMCBPHFYIHH-UHFFFAOYSA-N
MW292.28 g/mol
LogP0.27
Rot. Bonds7

About methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate

methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate (PubChem CID 114811561) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate
PubChem CID114811561
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Namemethyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-13(5-3-4-7(14)17-2)18(15,16)12-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyOUYXMCBPHFYIHH-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
Ethyl 4-(2,2,2-trifluoroethylsulfamoylamino)butanoate
CID 114811585
Methyl 4-[methyl(sulfamoyl)amino]butanoate
CID 60729454
Methyl 4-[methyl(propylsulfamoyl)amino]butanoate
CID 114811562
Methyl 4-[methyl(methylsulfamoyl)amino]butanoate
CID 114811563
Methyl 4-[ethylsulfamoyl(methyl)amino]butanoate
CID 115638410

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate (CID 114811561) is methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate?
The InChIKey is OUYXMCBPHFYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O4S/c1-13(5-3-4-7(14)17-2)18(15,16)12-6-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate?
methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate has a molecular weight of 292.28 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate is sourced from PubChem (CID 114811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).