2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide

C11H25N3O3S — CID 77008689

IUPAC2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)CCC(C)C)C(N)=NO
InChIInChI=1S/C11H25N3O3S/c1-5-11(6-2,10(12)13-15)14-18(16,17)8-7-9(3)4/h9,14-15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyOUXLRUPTMYGFHO-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.26
Rot. Bonds8

About 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide

2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide (PubChem CID 77008689) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide
PubChem CID77008689
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)CCC(C)C)C(N)=NO
InChIInChI=1S/C11H25N3O3S/c1-5-11(6-2,10(12)13-15)14-18(16,17)8-7-9(3)4/h9,14-15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyOUXLRUPTMYGFHO-UHFFFAOYSA-N
XLogP1.26
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide (CID 77008689) is 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide is CCC(CC)(NS(=O)(=O)CCC(C)C)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide?
The InChIKey is OUXLRUPTMYGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-5-11(6-2,10(12)13-15)14-18(16,17)8-7-9(3)4/h9,14-15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide?
2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide has a molecular weight of 279.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(3-methylbutylsulfonylamino)butanimidamide is sourced from PubChem (CID 77008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).