2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide

C7H14F3N3O2S2 — CID 114808212

IUPAC2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
SMILESCC(CN(C)S(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C7H14F3N3O2S2/c1-5(6(11)16)3-13(2)17(14,15)12-4-7(8,9)10/h5,12H,3-4H2,1-2H3,(H2,11,16)
InChIKeyPIEGPYATAMKPNV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.24
Rot. Bonds6

About 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide

2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide (PubChem CID 114808212) has the molecular formula C7H14F3N3O2S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
PubChem CID114808212
Molecular FormulaC7H14F3N3O2S2
Molecular Weight293.34 g/mol
Exact Mass293.05
IUPAC Name2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
SMILESCC(CN(C)S(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C7H14F3N3O2S2/c1-5(6(11)16)3-13(2)17(14,15)12-4-7(8,9)10/h5,12H,3-4H2,1-2H3,(H2,11,16)
InChIKeyPIEGPYATAMKPNV-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.24
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

3-[Difluoromethylsulfonyl(methyl)amino]propanethioamide
CID 28607028
3-[Difluoromethylsulfonyl(ethyl)amino]-2-methylpropanethioamide
CID 61574906
3-[Difluoromethylsulfonyl(methyl)amino]-2-methylpropanethioamide
CID 61577405
3-(Difluoromethylsulfonylamino)-2-methylpropanethioamide
CID 62667664
2-[Propyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 113637087
1-Amino-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114803753
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808069
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide
CID 114808199
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808205
3-[2-Methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808231
3-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide?
The IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide (CID 114808212) is 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide?
The canonical SMILES for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide is CC(CN(C)S(=O)(=O)NCC(F)(F)F)C(N)=S.
What is the InChIKey of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide?
The InChIKey is PIEGPYATAMKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S2/c1-5(6(11)16)3-13(2)17(14,15)12-4-7(8,9)10/h5,12H,3-4H2,1-2H3,(H2,11,16).
What are the key properties of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide?
2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide has a molecular weight of 293.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide is sourced from PubChem (CID 114808212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).