2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide

C8H20N4O3S — CID 104978285

IUPAC2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCCNS(=O)(=O)NC(CC)(CC)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-8(5-2,7(9)11-13)12-16(14,15)10-6-3/h10,12-13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBZKYMNCPDMBXPB-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.26
Rot. Bonds7

About 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide

2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 104978285) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID104978285
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCCNS(=O)(=O)NC(CC)(CC)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-8(5-2,7(9)11-13)12-16(14,15)10-6-3/h10,12-13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBZKYMNCPDMBXPB-UHFFFAOYSA-N
XLogP-0.26
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.26
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
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978277
N'-hydroxy-2-(propylsulfamoylamino)pentanimidamide
CID 104978278
N'-hydroxy-2-(propan-2-ylsulfamoylamino)pentanimidamide
CID 104978281
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 104978283
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)propanimidamide
CID 104978290

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide (CID 104978285) is 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide is CCNS(=O)(=O)NC(CC)(CC)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is BZKYMNCPDMBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-4-8(5-2,7(9)11-13)12-16(14,15)10-6-3/h10,12-13H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide?
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104978285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).