2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide

C8H16F3N3O2S2 — CID 114808169

IUPAC2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C8H16F3N3O2S2/c1-3-7(4-2,6(12)17)14-18(15,16)13-5-8(9,10)11/h13-14H,3-5H2,1-2H3,(H2,12,17)
InChIKeyBVKBPPYXRMUBJR-UHFFFAOYSA-N
MW307.36 g/mol
LogP0.82
Rot. Bonds7

About 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide

2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide (PubChem CID 114808169) has the molecular formula C8H16F3N3O2S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
PubChem CID114808169
Molecular FormulaC8H16F3N3O2S2
Molecular Weight307.36 g/mol
Exact Mass307.06
IUPAC Name2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C8H16F3N3O2S2/c1-3-7(4-2,6(12)17)14-18(15,16)13-5-8(9,10)11/h13-14H,3-5H2,1-2H3,(H2,12,17)
InChIKeyBVKBPPYXRMUBJR-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 113637077
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803669
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808135
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808141
2-Methyl-2-(propylsulfamoylamino)butanethioamide
CID 114808165
2-Ethyl-2-(ethylsulfamoylamino)butanethioamide
CID 114808170
2-Ethyl-2-(methylsulfamoylamino)butanethioamide
CID 114808171
2-Ethyl-2-(propylsulfamoylamino)butanethioamide
CID 114808172
2-Ethyl-2-(propan-2-ylsulfamoylamino)butanethioamide
CID 114808173
2-(Cyclopropylsulfamoylamino)-2-ethylbutanethioamide
CID 114808175

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide (CID 114808169) is 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide is CCC(CC)(NS(=O)(=O)NCC(F)(F)F)C(N)=S.
What is the InChIKey of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide?
The InChIKey is BVKBPPYXRMUBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S2/c1-3-7(4-2,6(12)17)14-18(15,16)13-5-8(9,10)11/h13-14H,3-5H2,1-2H3,(H2,12,17).
What are the key properties of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide?
2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide has a molecular weight of 307.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).