2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide

C7H18N4O3S — CID 104978282

IUPAC2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)NC)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-7(5-2,6(8)10-12)11-15(13,14)9-3/h9,11-12H,4-5H2,1-3H3,(H2,8,10)
InChIKeyMDMXIFXIEFOKJX-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.65
Rot. Bonds6

About 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide

2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide (PubChem CID 104978282) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
PubChem CID104978282
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)NC)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-7(5-2,6(8)10-12)11-15(13,14)9-3/h9,11-12H,4-5H2,1-3H3,(H2,8,10)
InChIKeyMDMXIFXIEFOKJX-UHFFFAOYSA-N
XLogP-0.65
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.65
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

2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978284
2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978277
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 104978283
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide
CID 104978288
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)propanimidamide
CID 104978290
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978291
N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978292
N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978313

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide (CID 104978282) is 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide is CCC(CC)(NS(=O)(=O)NC)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide?
The InChIKey is MDMXIFXIEFOKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-4-7(5-2,6(8)10-12)11-15(13,14)9-3/h9,11-12H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide?
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).