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

C7H18N4O3S — CID 104978345

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

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

2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 104978345) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
PubChem CID104978345
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCNS(=O)(=O)NC(C)(CC)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-7(3,6(8)10-12)11-15(13,14)9-5-2/h9,11-12H,4-5H2,1-3H3,(H2,8,10)
InChIKeyYDIATNXKLDWNBV-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
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637615
2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497
N'-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 77038575
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide
CID 104978265
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

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide (CID 104978345) is 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide is CCNS(=O)(=O)NC(C)(CC)C(N)=NO.
What is the InChIKey of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is YDIATNXKLDWNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-4-7(3,6(8)10-12)11-15(13,14)9-5-2/h9,11-12H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of 2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide 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-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 104978345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).