2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide

C5H10F3N3O2S2 — CID 114808237

IUPAC2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
SMILESCN(CC(N)=S)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F3N3O2S2/c1-11(2-4(9)14)15(12,13)10-3-5(6,7)8/h10H,2-3H2,1H3,(H2,9,14)
InChIKeyOKTVEILLEKAHGY-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.40
Rot. Bonds5

About 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide

2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide (PubChem CID 114808237) has the molecular formula C5H10F3N3O2S2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
PubChem CID114808237
Molecular FormulaC5H10F3N3O2S2
Molecular Weight265.28 g/mol
Exact Mass265.02
IUPAC Name2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
SMILESCN(CC(N)=S)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F3N3O2S2/c1-11(2-4(9)14)15(12,13)10-3-5(6,7)8/h10H,2-3H2,1H3,(H2,9,14)
InChIKeyOKTVEILLEKAHGY-UHFFFAOYSA-N
XLogP-0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[Difluoromethylsulfonyl(methyl)amino]ethanethioamide
CID 61899381
2-[Difluoromethylsulfonyl(ethyl)amino]ethanethioamide
CID 61900688
2-[Propyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 113637087
2-[[2-Aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 114803706
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808069
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanethioamide
CID 114808100
2-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808114
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808205
2-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808244
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808257
2-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808452
2-(Dimethylsulfamoylamino)ethanethioamide
CID 61127695

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide (CID 114808237) is 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide is CN(CC(N)=S)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
The InChIKey is OKTVEILLEKAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3O2S2/c1-11(2-4(9)14)15(12,13)10-3-5(6,7)8/h10H,2-3H2,1H3,(H2,9,14).
What are the key properties of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide has a molecular weight of 265.28 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide is sourced from PubChem (CID 114808237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).