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

C6H16N4O3S — CID 104985752

IUPAC2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(N)(=O)=O)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-3-6(4-2,5(7)9-11)10-14(8,12)13/h10-11H,3-4H2,1-2H3,(H2,7,9)(H2,8,12,13)
InChIKeyHXHCSNIJYVXCKV-UHFFFAOYSA-N
MW224.29 g/mol
LogP-0.92
Rot. Bonds5

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

2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide (PubChem CID 104985752) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide
PubChem CID104985752
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(N)(=O)=O)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-3-6(4-2,5(7)9-11)10-14(8,12)13/h10-11H,3-4H2,1-2H3,(H2,7,9)(H2,8,12,13)
InChIKeyHXHCSNIJYVXCKV-UHFFFAOYSA-N
XLogP-0.92
TPSA130.80 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 ≤ 5-0.92
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-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 77017208
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
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
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978289
N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978313
1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978314
1-(tert-butylsulfamoylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 104978319
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide
CID 104978342
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978343

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide (CID 104985752) is 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide is CCC(CC)(NS(N)(=O)=O)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide?
The InChIKey is HXHCSNIJYVXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-3-6(4-2,5(7)9-11)10-14(8,12)13/h10-11H,3-4H2,1-2H3,(H2,7,9)(H2,8,12,13).
What are the key properties of 2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide?
2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide has a molecular weight of 224.29 g/mol, XLogP of -0.92, 5 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-(sulfamoylamino)butanimidamide is sourced from PubChem (CID 104985752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).