2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

C6H16N4O3S — CID 104978291

IUPAC2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCNS(=O)(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-4-8-14(12,13)10-6(2,3)5(7)9-11/h8,10-11H,4H2,1-3H3,(H2,7,9)
InChIKeyVHJWOKWZYTVGAO-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.04
Rot. Bonds5

About 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104978291) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID104978291
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCNS(=O)(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-4-8-14(12,13)10-6(2,3)5(7)9-11/h8,10-11H,4H2,1-3H3,(H2,7,9)
InChIKeyVHJWOKWZYTVGAO-UHFFFAOYSA-N
XLogP-1.04
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide
CID 104978265
2-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978267
N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978268
N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978270
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 104978272
2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978273

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (CID 104978291) is 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is CCNS(=O)(=O)NC(C)(C)C(N)=NO.
What is the InChIKey of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VHJWOKWZYTVGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-4-8-14(12,13)10-6(2,3)5(7)9-11/h8,10-11H,4H2,1-3H3,(H2,7,9).
What are the key properties of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104978291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).