3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C11H26N4O3S — CID 76917181

IUPAC3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC)S(=O)(=O)N(CCC(N)=NO)CC(C)C
InChIInChI=1S/C11H26N4O3S/c1-5-14(6-2)19(17,18)15(9-10(3)4)8-7-11(12)13-16/h10,16H,5-9H2,1-4H3,(H2,12,13)
InChIKeyJXBQEKCTNGXZLD-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.67
Rot. Bonds9

About 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76917181) has the molecular formula C11H26N4O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID76917181
Molecular FormulaC11H26N4O3S
Molecular Weight294.42 g/mol
Exact Mass294.17
IUPAC Name3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC)S(=O)(=O)N(CCC(N)=NO)CC(C)C
InChIInChI=1S/C11H26N4O3S/c1-5-14(6-2)19(17,18)15(9-10(3)4)8-7-11(12)13-16/h10,16H,5-9H2,1-4H3,(H2,12,13)
InChIKeyJXBQEKCTNGXZLD-UHFFFAOYSA-N
XLogP0.67
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
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 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide 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 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 76917181) is 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CCN(CC)S(=O)(=O)N(CCC(N)=NO)CC(C)C.
What is the InChIKey of 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is JXBQEKCTNGXZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O3S/c1-5-14(6-2)19(17,18)15(9-10(3)4)8-7-11(12)13-16/h10,16H,5-9H2,1-4H3,(H2,12,13).
What are the key properties of 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 294.42 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76917181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).