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

C8H17F3N4O3S — CID 104978369

IUPACN'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O3S/c1-6(2)15(4-3-7(12)14-16)19(17,18)13-5-8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyBLAJIQSCKVYENX-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.23
Rot. Bonds7

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

N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 104978369) has the molecular formula C8H17F3N4O3S and a molecular weight of 306.31 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID104978369
Molecular FormulaC8H17F3N4O3S
Molecular Weight306.31 g/mol
Exact Mass306.10
IUPAC NameN'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O3S/c1-6(2)15(4-3-7(12)14-16)19(17,18)13-5-8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyBLAJIQSCKVYENX-UHFFFAOYSA-N
XLogP0.23
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.23
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'}

Analyze N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 104978369) is N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is CC(C)N(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is BLAJIQSCKVYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O3S/c1-6(2)15(4-3-7(12)14-16)19(17,18)13-5-8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 306.31 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).