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

C11H21N5O3S — CID 76933286

IUPAC3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C11H21N5O3S/c1-4-15-8-11(13-9(15)3)20(18,19)16(5-2)7-6-10(12)14-17/h8,17H,4-7H2,1-3H3,(H2,12,14)
InChIKeyAQLSFEWSGLUWDA-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.36
Rot. Bonds7

About 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide

3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide (PubChem CID 76933286) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
PubChem CID76933286
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C11H21N5O3S/c1-4-15-8-11(13-9(15)3)20(18,19)16(5-2)7-6-10(12)14-17/h8,17H,4-7H2,1-3H3,(H2,12,14)
InChIKeyAQLSFEWSGLUWDA-UHFFFAOYSA-N
XLogP0.36
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
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 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide (CID 76933286) is 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)S(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The InChIKey is AQLSFEWSGLUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-15-8-11(13-9(15)3)20(18,19)16(5-2)7-6-10(12)14-17/h8,17H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide?
3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide has a molecular weight of 303.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76933286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).