2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide

C11H21N5O3S — CID 79373579

IUPAC2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCn1cnc(S(=O)(=O)NC(CC)(CC)C(N)=NO)c1
InChIInChI=1S/C11H21N5O3S/c1-4-11(5-2,10(12)14-17)15-20(18,19)9-7-16(6-3)8-13-9/h7-8,15,17H,4-6H2,1-3H3,(H2,12,14)
InChIKeyAJQJSURSMSIBLQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.49
Rot. Bonds7

About 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide

2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 79373579) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID79373579
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCn1cnc(S(=O)(=O)NC(CC)(CC)C(N)=NO)c1
InChIInChI=1S/C11H21N5O3S/c1-4-11(5-2,10(12)14-17)15-20(18,19)9-7-16(6-3)8-13-9/h7-8,15,17H,4-6H2,1-3H3,(H2,12,14)
InChIKeyAJQJSURSMSIBLQ-UHFFFAOYSA-N
XLogP0.49
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79807174
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76933276
1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide
CID 103931311
2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 76933181
2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76923070
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
2-ethyl-N'-hydroxy-2-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077374
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119981388
N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
CID 79373974

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide (CID 79373579) is 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide is CCn1cnc(S(=O)(=O)NC(CC)(CC)C(N)=NO)c1.
What is the InChIKey of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is AJQJSURSMSIBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-11(5-2,10(12)14-17)15-20(18,19)9-7-16(6-3)8-13-9/h7-8,15,17H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 303.39 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 79373579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).