2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide

C6H11F2N3O3S — CID 77038256

IUPAC2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)C(F)F)C1CC1
InChIInChI=1S/C6H11F2N3O3S/c7-6(8)15(13,14)11-4(3-1-2-3)5(9)10-12/h3-4,6,11-12H,1-2H2,(H2,9,10)
InChIKeyDGXIGRBKOPGJSV-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.35
Rot. Bonds5

About 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide

2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide (PubChem CID 77038256) has the molecular formula C6H11F2N3O3S and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
PubChem CID77038256
Molecular FormulaC6H11F2N3O3S
Molecular Weight243.23 g/mol
Exact Mass243.05
IUPAC Name2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)C(F)F)C1CC1
InChIInChI=1S/C6H11F2N3O3S/c7-6(8)15(13,14)11-4(3-1-2-3)5(9)10-12/h3-4,6,11-12H,1-2H2,(H2,9,10)
InChIKeyDGXIGRBKOPGJSV-UHFFFAOYSA-N
XLogP-0.35
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.35
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 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide 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 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide (CID 77038256) is 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide is NC(=NO)C(NS(=O)(=O)C(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide?
The InChIKey is DGXIGRBKOPGJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O3S/c7-6(8)15(13,14)11-4(3-1-2-3)5(9)10-12/h3-4,6,11-12H,1-2H2,(H2,9,10).
What are the key properties of 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide?
2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide has a molecular weight of 243.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).