1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide

C10H19N3O4S — CID 113343424

IUPAC1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCC(O)COC)c1
InChIInChI=1S/C10H19N3O4S/c1-3-13-6-10(11-8-13)18(15,16)12-5-4-9(14)7-17-2/h6,8-9,12,14H,3-5,7H2,1-2H3
InChIKeyQGOJGRLENKRKBD-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.42
Rot. Bonds8

About 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide

1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide (PubChem CID 113343424) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
PubChem CID113343424
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCC(O)COC)c1
InChIInChI=1S/C10H19N3O4S/c1-3-13-6-10(11-8-13)18(15,16)12-5-4-9(14)7-17-2/h6,8-9,12,14H,3-5,7H2,1-2H3
InChIKeyQGOJGRLENKRKBD-UHFFFAOYSA-N
XLogP-0.42
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
CID 79373739
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
CID 106153983
methyl 6-[(1-ethylimidazol-4-yl)sulfonylamino]hexanoate
CID 79373929
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
CID 79373974
N-(2-azidoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373404
1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
CID 79373825
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide (CID 113343424) is 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCCC(O)COC)c1.
What is the InChIKey of 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide?
The InChIKey is QGOJGRLENKRKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-3-13-6-10(11-8-13)18(15,16)12-5-4-9(14)7-17-2/h6,8-9,12,14H,3-5,7H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide?
1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide is sourced from PubChem (CID 113343424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).