2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide

C9H22N4O3S — CID 104978286

IUPAC2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)NC(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-5-9(6-2,8(10)11-14)13-17(15,16)12-7(3)4/h7,12-14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyGDBSIUDCMDLOHK-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.12
Rot. Bonds7

About 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide

2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide (PubChem CID 104978286) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
PubChem CID104978286
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)NC(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-5-9(6-2,8(10)11-14)13-17(15,16)12-7(3)4/h7,12-14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyGDBSIUDCMDLOHK-UHFFFAOYSA-N
XLogP0.12
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.12
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
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406534
N'-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 77038575
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 104978272
2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978273
N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978274
N'-hydroxy-2-(methylsulfamoylamino)pentanimidamide
CID 104978276

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide (CID 104978286) is 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide is CCC(CC)(NS(=O)(=O)NC(C)C)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
The InChIKey is GDBSIUDCMDLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-9(6-2,8(10)11-14)13-17(15,16)12-7(3)4/h7,12-14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide has a molecular weight of 266.37 g/mol, XLogP of 0.12, 7 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-(propan-2-ylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).