3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide

C8H15F3N4O3S — CID 104978375

IUPAC3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)5-13-19(17,18)15(6-1-2-6)4-3-7(12)14-16/h6,13,16H,1-5H2,(H2,12,14)
InChIKeyDGMZHURYSKGATO-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.02
Rot. Bonds7

About 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104978375) has the molecular formula C8H15F3N4O3S and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
PubChem CID104978375
Molecular FormulaC8H15F3N4O3S
Molecular Weight304.29 g/mol
Exact Mass304.08
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)5-13-19(17,18)15(6-1-2-6)4-3-7(12)14-16/h6,13,16H,1-5H2,(H2,12,14)
InChIKeyDGMZHURYSKGATO-UHFFFAOYSA-N
XLogP-0.02
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.02
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-[cyclopropyl(difluoromethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911769
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 113637617
3-[Cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813474
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 54997598
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 76205538
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 76205618
3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 76911666
3-[cyclopropylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 104978353

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide (CID 104978375) is 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide is NC(CCN(C1CC1)S(=O)(=O)NCC(F)(F)F)=NO.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is DGMZHURYSKGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O3S/c9-8(10,11)5-13-19(17,18)15(6-1-2-6)4-3-7(12)14-16/h6,13,16H,1-5H2,(H2,12,14).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 304.29 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).