2-(2,2-difluoroethylsulfamoyl)propanethioamide

C5H10F2N2O2S2 — CID 115407196

IUPAC2-(2,2-difluoroethylsulfamoyl)propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O2S2/c1-3(5(8)12)13(10,11)9-2-4(6)7/h3-4,9H,2H2,1H3,(H2,8,12)
InChIKeyJBFVHZYGRNUKOC-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.15
Rot. Bonds5

About 2-(2,2-difluoroethylsulfamoyl)propanethioamide

2-(2,2-difluoroethylsulfamoyl)propanethioamide (PubChem CID 115407196) has the molecular formula C5H10F2N2O2S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfamoyl)propanethioamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfamoyl)propanethioamide
PubChem CID115407196
Molecular FormulaC5H10F2N2O2S2
Molecular Weight232.28 g/mol
Exact Mass232.02
IUPAC Name2-(2,2-difluoroethylsulfamoyl)propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O2S2/c1-3(5(8)12)13(10,11)9-2-4(6)7/h3-4,9H,2H2,1H3,(H2,8,12)
InChIKeyJBFVHZYGRNUKOC-UHFFFAOYSA-N
XLogP-0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfamoyl)propanethioamide?
The IUPAC name of 2-(2,2-difluoroethylsulfamoyl)propanethioamide (CID 115407196) is 2-(2,2-difluoroethylsulfamoyl)propanethioamide.
What is the SMILES notation for 2-(2,2-difluoroethylsulfamoyl)propanethioamide?
The canonical SMILES for 2-(2,2-difluoroethylsulfamoyl)propanethioamide is CC(C(N)=S)S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfamoyl)propanethioamide?
The InChIKey is JBFVHZYGRNUKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S2/c1-3(5(8)12)13(10,11)9-2-4(6)7/h3-4,9H,2H2,1H3,(H2,8,12).
What are the key properties of 2-(2,2-difluoroethylsulfamoyl)propanethioamide?
2-(2,2-difluoroethylsulfamoyl)propanethioamide has a molecular weight of 232.28 g/mol, XLogP of -0.15, 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)propanethioamide is sourced from PubChem (CID 115407196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).