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

C5H10F3N3O2S2 — CID 114808114

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
SMILESCC(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C5H10F3N3O2S2/c1-3(4(9)14)11-15(12,13)10-2-5(6,7)8/h3,10-11H,2H2,1H3,(H2,9,14)
InChIKeyYVKYZMIWCQNGNA-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.35
Rot. Bonds5

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

2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide (PubChem CID 114808114) has the molecular formula C5H10F3N3O2S2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
PubChem CID114808114
Molecular FormulaC5H10F3N3O2S2
Molecular Weight265.28 g/mol
Exact Mass265.02
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
SMILESCC(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C5H10F3N3O2S2/c1-3(4(9)14)11-15(12,13)10-2-5(6,7)8/h3,10-11H,2H2,1H3,(H2,9,14)
InChIKeyYVKYZMIWCQNGNA-UHFFFAOYSA-N
XLogP-0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.35
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)pentanethioamide
CID 61122650
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
2-(Difluoromethylsulfonylamino)butanethioamide
CID 61124243
3-(Difluoromethylsulfonylamino)butanethioamide
CID 62094789
2-(4,4,4-Trifluorobutylsulfonylamino)propanethioamide
CID 83058220
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
2-(4,4,4-Trifluorobutan-2-ylsulfamoyl)ethanethioamide
CID 105933894
2-(4,4,4-Trifluorobutan-2-ylsulfamoyl)propanethioamide
CID 105933901
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 113637077
2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803651
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanethioamide
CID 114808100
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide (CID 114808114) is 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide is CC(NS(=O)(=O)NCC(F)(F)F)C(N)=S.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
The InChIKey is YVKYZMIWCQNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3O2S2/c1-3(4(9)14)11-15(12,13)10-2-5(6,7)8/h3,10-11H,2H2,1H3,(H2,9,14).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide?
2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide has a molecular weight of 265.28 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).