1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide

C11H21N3O3S — CID 81342657

IUPAC1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide
SMILESCCCCOCCn1cc(S(N)(=O)=O)nc1CC
InChIInChI=1S/C11H21N3O3S/c1-3-5-7-17-8-6-14-9-11(18(12,15)16)13-10(14)4-2/h9H,3-8H2,1-2H3,(H2,12,15,16)
InChIKeyNNOTURHPBWODEF-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.91
Rot. Bonds8

About 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide

1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide (PubChem CID 81342657) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide
PubChem CID81342657
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide
SMILESCCCCOCCn1cc(S(N)(=O)=O)nc1CC
InChIInChI=1S/C11H21N3O3S/c1-3-5-7-17-8-6-14-9-11(18(12,15)16)13-10(14)4-2/h9H,3-8H2,1-2H3,(H2,12,15,16)
InChIKeyNNOTURHPBWODEF-UHFFFAOYSA-N
XLogP0.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide
CID 104568992
1-hexyl-2-propylimidazole-4-sulfonamide
CID 81340476
1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81340196
1-pentyl-2-propan-2-ylimidazole-4-sulfonamide
CID 81340675
2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
CID 81342661
1-nonyl-2-propan-2-ylimidazole-4-sulfonamide
CID 81337735
5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one
CID 43260157
2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 81341352
2-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 81340774
1-[(3-bromo-5-fluorophenyl)methyl]-2-ethylimidazole-4-sulfonamide
CID 81341545
1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81339724
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylimidazole-4-sulfonamide
CID 81342287

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide?
The IUPAC name of 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide (CID 81342657) is 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide?
The canonical SMILES for 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide is CCCCOCCn1cc(S(N)(=O)=O)nc1CC.
What is the InChIKey of 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide?
The InChIKey is NNOTURHPBWODEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-3-5-7-17-8-6-14-9-11(18(12,15)16)13-10(14)4-2/h9H,3-8H2,1-2H3,(H2,12,15,16).
What are the key properties of 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide?
1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 81342657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).