N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

C6H13F3N4O3S — CID 104978252

IUPACN'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O3S/c1-13(3-2-5(10)12-14)17(15,16)11-4-6(7,8)9/h11,14H,2-4H2,1H3,(H2,10,12)
InChIKeyHKJMHMJYUHVSQY-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.55
Rot. Bonds6

About N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 104978252) has the molecular formula C6H13F3N4O3S and a molecular weight of 278.26 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID104978252
Molecular FormulaC6H13F3N4O3S
Molecular Weight278.26 g/mol
Exact Mass278.07
IUPAC NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O3S/c1-13(3-2-5(10)12-14)17(15,16)11-4-6(7,8)9/h11,14H,2-4H2,1H3,(H2,10,12)
InChIKeyHKJMHMJYUHVSQY-UHFFFAOYSA-N
XLogP-0.55
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.55
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

3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910586
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
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-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 104978375
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978380
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978387
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 104978252) is N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is CN(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is HKJMHMJYUHVSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O3S/c1-13(3-2-5(10)12-14)17(15,16)11-4-6(7,8)9/h11,14H,2-4H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 278.26 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).