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

C6H12F3N3O2S2 — CID 114808244

IUPAC2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H12F3N3O2S2/c1-2-12(3-5(10)15)16(13,14)11-4-6(7,8)9/h11H,2-4H2,1H3,(H2,10,15)
InChIKeyYWWFHDDVJVLOCJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.01
Rot. Bonds6

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

2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide (PubChem CID 114808244) has the molecular formula C6H12F3N3O2S2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
PubChem CID114808244
Molecular FormulaC6H12F3N3O2S2
Molecular Weight279.31 g/mol
Exact Mass279.03
IUPAC Name2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H12F3N3O2S2/c1-2-12(3-5(10)15)16(13,14)11-4-6(7,8)9/h11H,2-4H2,1H3,(H2,10,15)
InChIKeyYWWFHDDVJVLOCJ-UHFFFAOYSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.01
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(propyl)amino]ethanethioamide
CID 61879397
2-[Difluoromethylsulfonyl(methyl)amino]ethanethioamide
CID 61899381
2-[Difluoromethylsulfonyl(ethyl)amino]ethanethioamide
CID 61900688
2-[2-Aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
CID 107493794
2-[2-Aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane
CID 107493861
N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine
CID 107493872
2-[2-Aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493881
2-[2-Aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493945
N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107493954
2-[Propyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 113637087
2-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 114803713
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808069

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide (CID 114808244) is 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide is CCN(CC(N)=S)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
The InChIKey is YWWFHDDVJVLOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S2/c1-2-12(3-5(10)15)16(13,14)11-4-6(7,8)9/h11H,2-4H2,1H3,(H2,10,15).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide?
2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide has a molecular weight of 279.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide is sourced from PubChem (CID 114808244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).