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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Related Compounds

1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-2-(propan-2-yl)-1H-imidazole-5-sulfonyl chloride
CID 129980896
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide
CID 3071456
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine
CID 62373439
N,N,1,2-tetramethyl-1H-imidazole-4-sulfonamide
CID 24229809
2-Ethyl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride
CID 64565742
2-Ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
CID 80695121

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).