N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride

C12H25ClN4O3S — CID 120717685

IUPACN-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cn(CC(C)C)cn1.Cl
InChIInChI=1S/C12H24N4O3S.ClH/c1-11(2)8-16-9-12(14-10-16)20(17,18)15-5-4-13-6-7-19-3;/h9-11,13,15H,4-8H2,1-3H3;1H
InChIKeyOECOHQHCUJSUJH-UHFFFAOYSA-N
MW340.88 g/mol
LogP0.48
Rot. Bonds10

About N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 120717685) has the molecular formula C12H25ClN4O3S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID120717685
Molecular FormulaC12H25ClN4O3S
Molecular Weight340.88 g/mol
Exact Mass340.13
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cn(CC(C)C)cn1.Cl
InChIInChI=1S/C12H24N4O3S.ClH/c1-11(2)8-16-9-12(14-10-16)20(17,18)15-5-4-13-6-7-19-3;/h9-11,13,15H,4-8H2,1-3H3;1H
InChIKeyOECOHQHCUJSUJH-UHFFFAOYSA-N
XLogP0.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119973176
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
CID 119994593
1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
CID 113343424
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119975645
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119981388
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
CID 104594021
N-(2-amino-1-cyclohexylethyl)-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 119983755
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride (CID 120717685) is N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cn(CC(C)C)cn1.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is OECOHQHCUJSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S.ClH/c1-11(2)8-16-9-12(14-10-16)20(17,18)15-5-4-13-6-7-19-3;/h9-11,13,15H,4-8H2,1-3H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120717685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).