N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide

C4H12N4O3S — CID 104978384

IUPACN'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide
SMILESCNS(=O)(=O)N(C)CC(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-6-12(10,11)8(2)3-4(5)7-9/h6,9H,3H2,1-2H3,(H2,5,7)
InChIKeyNYJLMQHWUIGGIJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.87
Rot. Bonds4

About N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide (PubChem CID 104978384) has the molecular formula C4H12N4O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide
PubChem CID104978384
Molecular FormulaC4H12N4O3S
Molecular Weight196.23 g/mol
Exact Mass196.06
IUPAC NameN'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide
SMILESCNS(=O)(=O)N(C)CC(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-6-12(10,11)8(2)3-4(5)7-9/h6,9H,3H2,1-2H3,(H2,5,7)
InChIKeyNYJLMQHWUIGGIJ-UHFFFAOYSA-N
XLogP-1.87
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.87
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-2-[methyl(methylsulfamoyl)amino]ethanimidamide 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-2-[methyl(methylsulfamoyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide (CID 104978384) is N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide is CNS(=O)(=O)N(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide?
The InChIKey is NYJLMQHWUIGGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O3S/c1-6-12(10,11)8(2)3-4(5)7-9/h6,9H,3H2,1-2H3,(H2,5,7).
What are the key properties of N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide has a molecular weight of 196.23 g/mol, XLogP of -1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(methylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 104978384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).