N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide

C8H15F3N4O3S — CID 104978501

IUPACN'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)5-13-19(17,18)15-4-2-1-3-6(15)7(12)14-16/h6,13,16H,1-5H2,(H2,12,14)
InChIKeyHNEWGJNNQUQEAF-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.02
Rot. Bonds4

About N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide

N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide (PubChem CID 104978501) has the molecular formula C8H15F3N4O3S and a molecular weight of 304.29 g/mol. Its IUPAC name is N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide
PubChem CID104978501
Molecular FormulaC8H15F3N4O3S
Molecular Weight304.29 g/mol
Exact Mass304.08
IUPAC NameN'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)5-13-19(17,18)15-4-2-1-3-6(15)7(12)14-16/h6,13,16H,1-5H2,(H2,12,14)
InChIKeyHNEWGJNNQUQEAF-UHFFFAOYSA-N
XLogP-0.02
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide 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-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide (CID 104978501) is N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide is NC(=NO)C1CCCCN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide?
The InChIKey is HNEWGJNNQUQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O3S/c9-8(10,11)5-13-19(17,18)15-4-2-1-3-6(15)7(12)14-16/h6,13,16H,1-5H2,(H2,12,14).
What are the key properties of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide has a molecular weight of 304.29 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide is sourced from PubChem (CID 104978501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).