3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C8H20N4O3S — CID 76910647

IUPAC3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C8H20N4O3S/c1-5-12(16(14,15)11(3)4)6-7(2)8(9)10-13/h7,13H,5-6H2,1-4H3,(H2,9,10)
InChIKeyZHFPJSMQIRNBMR-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.50
Rot. Bonds6

About 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910647) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910647
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C8H20N4O3S/c1-5-12(16(14,15)11(3)4)6-7(2)8(9)10-13/h7,13H,5-6H2,1-4H3,(H2,9,10)
InChIKeyZHFPJSMQIRNBMR-UHFFFAOYSA-N
XLogP-0.50
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910647) is 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZHFPJSMQIRNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-5-12(16(14,15)11(3)4)6-7(2)8(9)10-13/h7,13H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).