2-(difluoromethylsulfonylamino)-2-methylpropanethioamide

C5H10F2N2O2S2 — CID 61118851

IUPAC2-(difluoromethylsulfonylamino)-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C5H10F2N2O2S2/c1-5(2,3(8)12)9-13(10,11)4(6)7/h4,9H,1-2H3,(H2,8,12)
InChIKeyWGWLJZQSOFILNR-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.19
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide

2-(difluoromethylsulfonylamino)-2-methylpropanethioamide (PubChem CID 61118851) has the molecular formula C5H10F2N2O2S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-2-methylpropanethioamide
PubChem CID61118851
Molecular FormulaC5H10F2N2O2S2
Molecular Weight232.28 g/mol
Exact Mass232.02
IUPAC Name2-(difluoromethylsulfonylamino)-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C5H10F2N2O2S2/c1-5(2,3(8)12)9-13(10,11)4(6)7/h4,9H,1-2H3,(H2,8,12)
InChIKeyWGWLJZQSOFILNR-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.19
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-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852
2-(Difluoromethylsulfonylamino)-2-methylbutanethioamide
CID 61122484
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
2-(Difluoromethylsulfonylamino)-2-ethylbutanethioamide
CID 61124289
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
CID 83058219
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058774
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
CID 106217525
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide
CID 106217531
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
2-(Ethylsulfonylamino)-2-methylpropanethioamide
CID 61121628
2-(Methanesulfonamido)-2-methylbutanethioamide
CID 61124476

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide (CID 61118851) is 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide is CC(C)(NS(=O)(=O)C(F)F)C(N)=S.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide?
The InChIKey is WGWLJZQSOFILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S2/c1-5(2,3(8)12)9-13(10,11)4(6)7/h4,9H,1-2H3,(H2,8,12).
What are the key properties of 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide?
2-(difluoromethylsulfonylamino)-2-methylpropanethioamide has a molecular weight of 232.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-2-methylpropanethioamide is sourced from PubChem (CID 61118851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).