N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide

C5H11F3N4O3S — CID 104978387

IUPACN'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O3S/c1-12(2-4(9)11-13)16(14,15)10-3-5(6,7)8/h10,13H,2-3H2,1H3,(H2,9,11)
InChIKeyYLAOGDDERACCNU-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.94
Rot. Bonds5

About N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (PubChem CID 104978387) has the molecular formula C5H11F3N4O3S and a molecular weight of 264.23 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
PubChem CID104978387
Molecular FormulaC5H11F3N4O3S
Molecular Weight264.23 g/mol
Exact Mass264.05
IUPAC NameN'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O3S/c1-12(2-4(9)11-13)16(14,15)10-3-5(6,7)8/h10,13H,2-3H2,1H3,(H2,9,11)
InChIKeyYLAOGDDERACCNU-UHFFFAOYSA-N
XLogP-0.94
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928793
2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide
CID 76929468
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978309
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 113637617
2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 113637622
N'-hydroxy-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 113637623
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637624
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 114813261
2-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 114813274
2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxyethanimidamide
CID 76929417

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (CID 104978387) is N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is CN(CC(N)=NO)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The InChIKey is YLAOGDDERACCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4O3S/c1-12(2-4(9)11-13)16(14,15)10-3-5(6,7)8/h10,13H,2-3H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide has a molecular weight of 264.23 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 104978387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).