2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide

C4H8F3N3O2S2 — CID 114808100

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
SMILESNC(=S)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H8F3N3O2S2/c5-4(6,7)2-10-14(11,12)9-1-3(8)13/h9-10H,1-2H2,(H2,8,13)
InChIKeyRCMKXXPAUXUWGY-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.74
Rot. Bonds5

About 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide

2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide (PubChem CID 114808100) has the molecular formula C4H8F3N3O2S2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
PubChem CID114808100
Molecular FormulaC4H8F3N3O2S2
Molecular Weight251.25 g/mol
Exact Mass251.00
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
SMILESNC(=S)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H8F3N3O2S2/c5-4(6,7)2-10-14(11,12)9-1-3(8)13/h9-10H,1-2H2,(H2,8,13)
InChIKeyRCMKXXPAUXUWGY-UHFFFAOYSA-N
XLogP-0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethylsulfonylamino)ethanethioamide
CID 61127692
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
2-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808114
2-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808121
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808237
2-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808244
4-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808298
3-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
5-(2,2,2-Trifluoroethylsulfamoylamino)pentanethioamide
CID 114808440
2-(Ethylsulfamoylamino)ethanethioamide
CID 114808101

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide (CID 114808100) is 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide is NC(=S)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The InChIKey is RCMKXXPAUXUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N3O2S2/c5-4(6,7)2-10-14(11,12)9-1-3(8)13/h9-10H,1-2H2,(H2,8,13).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide has a molecular weight of 251.25 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).