2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide

C6H12F3N3O2S2 — CID 114808107

IUPAC2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C6H12F3N3O2S2/c1-5(2,4(10)15)12-16(13,14)11-3-6(7,8)9/h11-12H,3H2,1-2H3,(H2,10,15)
InChIKeyTTYYSLZRTDBRFE-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.04
Rot. Bonds5

About 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide

2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide (PubChem CID 114808107) has the molecular formula C6H12F3N3O2S2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
PubChem CID114808107
Molecular FormulaC6H12F3N3O2S2
Molecular Weight279.31 g/mol
Exact Mass279.03
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C6H12F3N3O2S2/c1-5(2,4(10)15)12-16(13,14)11-3-6(7,8)9/h11-12H,3H2,1-2H3,(H2,10,15)
InChIKeyTTYYSLZRTDBRFE-UHFFFAOYSA-N
XLogP0.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethylsulfonylamino)-2-methylpropanethioamide
CID 61118851
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63194629
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 113637077
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803658
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanethioamide
CID 114808100
2-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808114
2-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808121
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanethioamide
CID 114808128
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808257
3-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide (CID 114808107) is 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide is CC(C)(NS(=O)(=O)NCC(F)(F)F)C(N)=S.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
The InChIKey is TTYYSLZRTDBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S2/c1-5(2,4(10)15)12-16(13,14)11-3-6(7,8)9/h11-12H,3H2,1-2H3,(H2,10,15).
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide has a molecular weight of 279.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).