2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide

C10H11F3N2O2S2 — CID 61119447

IUPAC2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide
SMILESCC(C)(NS(=O)(=O)c1c(F)cc(F)cc1F)C(N)=S
InChIInChI=1S/C10H11F3N2O2S2/c1-10(2,9(14)18)15-19(16,17)8-6(12)3-5(11)4-7(8)13/h3-4,15H,1-2H3,(H2,14,18)
InChIKeyLFUSNMOGDOCGEU-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide

2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide (PubChem CID 61119447) has the molecular formula C10H11F3N2O2S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide
PubChem CID61119447
Molecular FormulaC10H11F3N2O2S2
Molecular Weight312.34 g/mol
Exact Mass312.02
IUPAC Name2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide
SMILESCC(C)(NS(=O)(=O)c1c(F)cc(F)cc1F)C(N)=S
InChIInChI=1S/C10H11F3N2O2S2/c1-10(2,9(14)18)15-19(16,17)8-6(12)3-5(11)4-7(8)13/h3-4,15H,1-2H3,(H2,14,18)
InChIKeyLFUSNMOGDOCGEU-UHFFFAOYSA-N
XLogP1.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.45
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

4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
2,4,6-trifluorobenzenesulfonohydrazide
CID 60971581
2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide
CID 61119645
N-(1-chloro-3-methylpentan-3-yl)-2,4,6-trifluorobenzenesulfonamide
CID 106170164
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 106141646
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,4,6-trifluorobenzenesulfonamide
CID 107868321
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
CID 61121428
N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
CID 61120241
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide?
The IUPAC name of 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide (CID 61119447) is 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide.
What is the SMILES notation for 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide?
The canonical SMILES for 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide is CC(C)(NS(=O)(=O)c1c(F)cc(F)cc1F)C(N)=S.
What is the InChIKey of 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide?
The InChIKey is LFUSNMOGDOCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S2/c1-10(2,9(14)18)15-19(16,17)8-6(12)3-5(11)4-7(8)13/h3-4,15H,1-2H3,(H2,14,18).
What are the key properties of 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide?
2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide has a molecular weight of 312.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide is sourced from PubChem (CID 61119447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).