N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

C6H13F3N4O3S — CID 104978412

IUPACN'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O3S/c1-4(2-5(10)12-14)13-17(15,16)11-3-6(7,8)9/h4,11,13-14H,2-3H2,1H3,(H2,10,12)
InChIKeyPOIRGOVVTVNPPD-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.50
Rot. Bonds6

About N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (PubChem CID 104978412) has the molecular formula C6H13F3N4O3S and a molecular weight of 278.26 g/mol. Its IUPAC name is N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
PubChem CID104978412
Molecular FormulaC6H13F3N4O3S
Molecular Weight278.26 g/mol
Exact Mass278.07
IUPAC NameN'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O3S/c1-4(2-5(10)12-14)13-17(15,16)11-3-6(7,8)9/h4,11,13-14H,2-3H2,1H3,(H2,10,12)
InChIKeyPOIRGOVVTVNPPD-UHFFFAOYSA-N
XLogP-0.50
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
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-[(Difluoromethanesulfonyl)amino]-N-hydroxypentanimidamide
CID 62651828
3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
CID 76934597
3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
CID 76947699
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
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
N'-hydroxy-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978519
2-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
CID 112495382

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (CID 104978412) is N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is CC(CC(N)=NO)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The InChIKey is POIRGOVVTVNPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O3S/c1-4(2-5(10)12-14)13-17(15,16)11-3-6(7,8)9/h4,11,13-14H,2-3H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide has a molecular weight of 278.26 g/mol, XLogP of -0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).