3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide

C8H16F3N3O2S2 — CID 114808199

IUPAC3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S2/c1-3-14(4-6(2)7(12)17)18(15,16)13-5-8(9,10)11/h6,13H,3-5H2,1-2H3,(H2,12,17)
InChIKeyJGEVSCBRYDSXDN-UHFFFAOYSA-N
MW307.36 g/mol
LogP0.63
Rot. Bonds7

About 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide

3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide (PubChem CID 114808199) has the molecular formula C8H16F3N3O2S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide
PubChem CID114808199
Molecular FormulaC8H16F3N3O2S2
Molecular Weight307.36 g/mol
Exact Mass307.06
IUPAC Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S2/c1-3-14(4-6(2)7(12)17)18(15,16)13-5-8(9,10)11/h6,13H,3-5H2,1-2H3,(H2,12,17)
InChIKeyJGEVSCBRYDSXDN-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 50.63
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(ethyl)amino]-2-methylpropanethioamide
CID 61574906
3-[Difluoromethylsulfonyl(2-methylpropyl)amino]propanethioamide
CID 61664938
3-[Ethyl(4,4,4-trifluorobutylsulfonyl)amino]-2-methylpropanethioamide
CID 83059083
2-Methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanethioamide
CID 83059257
3-[2-Methylpropyl(4,4,4-trifluorobutylsulfonyl)amino]propanethioamide
CID 83059700
3-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 113637084
1-Amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
CID 114803746
1-[3-Aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
CID 114803760
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808069
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808205
2-Methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808212
3-[2-Methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808231

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide (CID 114808199) is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide is CCN(CC(C)C(N)=S)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide?
The InChIKey is JGEVSCBRYDSXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S2/c1-3-14(4-6(2)7(12)17)18(15,16)13-5-8(9,10)11/h6,13H,3-5H2,1-2H3,(H2,12,17).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide?
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide has a molecular weight of 307.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 114808199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).