2-(2,2-difluoroethylsulfamoyl)ethanethioamide

C4H8F2N2O2S2 — CID 115407192

IUPAC2-(2,2-difluoroethylsulfamoyl)ethanethioamide
SMILESNC(=S)CS(=O)(=O)NCC(F)F
InChIInChI=1S/C4H8F2N2O2S2/c5-3(6)1-8-12(9,10)2-4(7)11/h3,8H,1-2H2,(H2,7,11)
InChIKeyUJBODRTYIYXIFP-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.54
Rot. Bonds5

About 2-(2,2-difluoroethylsulfamoyl)ethanethioamide

2-(2,2-difluoroethylsulfamoyl)ethanethioamide (PubChem CID 115407192) has the molecular formula C4H8F2N2O2S2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfamoyl)ethanethioamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfamoyl)ethanethioamide
PubChem CID115407192
Molecular FormulaC4H8F2N2O2S2
Molecular Weight218.25 g/mol
Exact Mass218.00
IUPAC Name2-(2,2-difluoroethylsulfamoyl)ethanethioamide
SMILESNC(=S)CS(=O)(=O)NCC(F)F
InChIInChI=1S/C4H8F2N2O2S2/c5-3(6)1-8-12(9,10)2-4(7)11/h3,8H,1-2H2,(H2,7,11)
InChIKeyUJBODRTYIYXIFP-UHFFFAOYSA-N
XLogP-0.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.54
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-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 24691755
N-ethyl-2,2-difluoroethanesulfonamide
CID 54439869
N-(2,2-difluoroethyl)ethanesulfonamide
CID 79089686
2-amino-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115406477
2-amino-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 156402194
2-amino-N-(2,2-difluoropropyl)ethanesulfonamide
CID 157027081
2-amino-N-(1,2,2-trifluoroethyl)ethanesulfonamide
CID 175391186
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 60891946
3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60910340
2-(Difluoromethylsulfonylamino)ethanethioamide
CID 61127692
2-(Difluoromethylsulfonylamino)ethanesulfonamide
CID 61131850

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfamoyl)ethanethioamide?
The IUPAC name of 2-(2,2-difluoroethylsulfamoyl)ethanethioamide (CID 115407192) is 2-(2,2-difluoroethylsulfamoyl)ethanethioamide.
What is the SMILES notation for 2-(2,2-difluoroethylsulfamoyl)ethanethioamide?
The canonical SMILES for 2-(2,2-difluoroethylsulfamoyl)ethanethioamide is NC(=S)CS(=O)(=O)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfamoyl)ethanethioamide?
The InChIKey is UJBODRTYIYXIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2S2/c5-3(6)1-8-12(9,10)2-4(7)11/h3,8H,1-2H2,(H2,7,11).
What are the key properties of 2-(2,2-difluoroethylsulfamoyl)ethanethioamide?
2-(2,2-difluoroethylsulfamoyl)ethanethioamide has a molecular weight of 218.25 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfamoyl)ethanethioamide is sourced from PubChem (CID 115407192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).