2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C4H9F3N4O2S — CID 114813247

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N4O2S/c5-4(6,7)2-11-14(12,13)10-1-3(8)9/h10-11H,1-2H2,(H3,8,9)
InChIKeyWIWSRPPDXNEILS-UHFFFAOYSA-N
MW234.20 g/mol
LogP-1.09
Rot. Bonds5

About 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 114813247) has the molecular formula C4H9F3N4O2S and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID114813247
Molecular FormulaC4H9F3N4O2S
Molecular Weight234.20 g/mol
Exact Mass234.04
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N4O2S/c5-4(6,7)2-11-14(12,13)10-1-3(8)9/h10-11H,1-2H2,(H3,8,9)
InChIKeyWIWSRPPDXNEILS-UHFFFAOYSA-N
XLogP-1.09
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-1.09
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'}

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Related Compounds

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978309
5-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637778
3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 114813261
2-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 114813274
4-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813337
2-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813351
2-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813456
2-(Ethylsulfamoylamino)ethanimidamide
CID 114813249
2-(Sulfamoylamino)ethanimidamide
CID 114959682

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 114813247) is 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is [H]/N=C(\N)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is WIWSRPPDXNEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N4O2S/c5-4(6,7)2-11-14(12,13)10-1-3(8)9/h10-11H,1-2H2,(H3,8,9).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 234.20 g/mol, XLogP of -1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).