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

C12H23N5O3S — CID 76933276

IUPAC2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCn1cc(S(=O)(=O)NC(CC)(CC)C(N)=NO)nc1C
InChIInChI=1S/C12H23N5O3S/c1-5-12(6-2,11(13)15-18)16-21(19,20)10-8-17(7-3)9(4)14-10/h8,16,18H,5-7H2,1-4H3,(H2,13,15)
InChIKeyZNQVDUYGHRGABW-UHFFFAOYSA-N
MW317.42 g/mol
LogP0.79
Rot. Bonds7

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

2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76933276) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76933276
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCn1cc(S(=O)(=O)NC(CC)(CC)C(N)=NO)nc1C
InChIInChI=1S/C12H23N5O3S/c1-5-12(6-2,11(13)15-18)16-21(19,20)10-8-17(7-3)9(4)14-10/h8,16,18H,5-7H2,1-4H3,(H2,13,15)
InChIKeyZNQVDUYGHRGABW-UHFFFAOYSA-N
XLogP0.79
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76933276) is 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide is CCn1cc(S(=O)(=O)NC(CC)(CC)C(N)=NO)nc1C.
What is the InChIKey of 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is ZNQVDUYGHRGABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-5-12(6-2,11(13)15-18)16-21(19,20)10-8-17(7-3)9(4)14-10/h8,16,18H,5-7H2,1-4H3,(H2,13,15).
What are the key properties of 2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 317.42 g/mol, XLogP of 0.79, 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-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76933276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).