2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

C8H17F3N4O2S — CID 114813313

IUPAC2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O2S/c1-3-7(4-2,6(12)13)15-18(16,17)14-5-8(9,10)11/h14-15H,3-5H2,1-2H3,(H3,12,13)
InChIKeyRDLPOPSBGCPIPP-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.47
Rot. Bonds7

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

2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (PubChem CID 114813313) has the molecular formula C8H17F3N4O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
PubChem CID114813313
Molecular FormulaC8H17F3N4O2S
Molecular Weight290.31 g/mol
Exact Mass290.10
IUPAC Name2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O2S/c1-3-7(4-2,6(12)13)15-18(16,17)14-5-8(9,10)11/h14-15H,3-5H2,1-2H3,(H3,12,13)
InChIKeyRDLPOPSBGCPIPP-UHFFFAOYSA-N
XLogP0.47
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide 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-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978284
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637733
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637763
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813180
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
2-Ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 114813310
2-(Cyclopropylsulfamoylamino)-2-ethylbutanimidamide
CID 114813311
2-Ethyl-2-(methylsulfamoylamino)butanimidamide
CID 114813312
2-(Tert-butylsulfamoylamino)-2-ethylbutanimidamide
CID 114813314
2-Ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
2-Ethyl-2-(propylsulfamoylamino)butanimidamide
CID 114813316
2-Methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 114813403

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (CID 114813313) is 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is [H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The InChIKey is RDLPOPSBGCPIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O2S/c1-3-7(4-2,6(12)13)15-18(16,17)14-5-8(9,10)11/h14-15H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide has a molecular weight of 290.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).