2-(difluoromethylsulfonylamino)ethanethioamide

C3H6F2N2O2S2 — CID 61127692

IUPAC2-(difluoromethylsulfonylamino)ethanethioamide
SMILESNC(=S)CNS(=O)(=O)C(F)F
InChIInChI=1S/C3H6F2N2O2S2/c4-3(5)11(8,9)7-1-2(6)10/h3,7H,1H2,(H2,6,10)
InChIKeyYPJXBZIQWJMBIT-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.59
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)ethanethioamide

2-(difluoromethylsulfonylamino)ethanethioamide (PubChem CID 61127692) has the molecular formula C3H6F2N2O2S2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)ethanethioamide
PubChem CID61127692
Molecular FormulaC3H6F2N2O2S2
Molecular Weight204.22 g/mol
Exact Mass203.98
IUPAC Name2-(difluoromethylsulfonylamino)ethanethioamide
SMILESNC(=S)CNS(=O)(=O)C(F)F
InChIInChI=1S/C3H6F2N2O2S2/c4-3(5)11(8,9)7-1-2(6)10/h3,7H,1H2,(H2,6,10)
InChIKeyYPJXBZIQWJMBIT-UHFFFAOYSA-N
XLogP-0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.59
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

N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
CID 43603512
1-(Sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane
CID 89129498
2-Azaniumylethyl(difluoromethylsulfonyl)azanide
CID 28606993
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
3-(Difluoromethylsulfonylamino)propanethioamide
CID 62666525
4-(Difluoromethylsulfonylamino)butanethioamide
CID 62667364
2-(2,2,2-Trifluoroethylsulfamoyl)ethanethioamide
CID 65566562
2-(4,4,4-Trifluorobutylsulfonylamino)ethanethioamide
CID 83058079
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanethioamide
CID 114808100
2-(2,2-Difluoroethylsulfamoyl)ethanethioamide
CID 115407192

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)ethanethioamide (CID 61127692) is 2-(difluoromethylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)ethanethioamide is NC(=S)CNS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)ethanethioamide?
The InChIKey is YPJXBZIQWJMBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2O2S2/c4-3(5)11(8,9)7-1-2(6)10/h3,7H,1H2,(H2,6,10).
What are the key properties of 2-(difluoromethylsulfonylamino)ethanethioamide?
2-(difluoromethylsulfonylamino)ethanethioamide has a molecular weight of 204.22 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61127692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).