3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide

C8H17F3N4O2S — CID 114813268

IUPAC3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O2S/c1-3-15(4-6(2)7(12)13)18(16,17)14-5-8(9,10)11/h6,14H,3-5H2,1-2H3,(H3,12,13)
InChIKeyCJDJGVKCIRIFTJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.28
Rot. Bonds7

About 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide

3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide (PubChem CID 114813268) has the molecular formula C8H17F3N4O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide
PubChem CID114813268
Molecular FormulaC8H17F3N4O2S
Molecular Weight290.31 g/mol
Exact Mass290.10
IUPAC Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O2S/c1-3-15(4-6(2)7(12)13)18(16,17)14-5-8(9,10)11/h6,14H,3-5H2,1-2H3,(H3,12,13)
InChIKeyCJDJGVKCIRIFTJ-UHFFFAOYSA-N
XLogP0.28
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Difluoromethylsulfonyl(2-methylpropyl)amino]propanimidamide
CID 64413109
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104978350
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978380
3-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637744
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813229
2-Methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813254
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
3-[2-Methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813480
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813493
3-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64405507
3-[Diethylsulfamoyl(ethyl)amino]propanimidamide
CID 64405867

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide (CID 114813268) is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide?
The InChIKey is CJDJGVKCIRIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O2S/c1-3-15(4-6(2)7(12)13)18(16,17)14-5-8(9,10)11/h6,14H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide?
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide has a molecular weight of 290.31 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 114813268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).