1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide

C11H21N3O3S — CID 81340196

IUPAC1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCCOCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C11H21N3O3S/c1-4-17-7-5-6-14-8-10(18(12,15)16)13-11(14)9(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15,16)
InChIKeyZNIJKXRMAAIURC-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.08
Rot. Bonds7

About 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide

1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340196) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340196
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCCOCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C11H21N3O3S/c1-4-17-7-5-6-14-8-10(18(12,15)16)13-11(14)9(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15,16)
InChIKeyZNIJKXRMAAIURC-UHFFFAOYSA-N
XLogP1.08
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide (CID 81340196) is 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide is CCOCCCn1cc(S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is ZNIJKXRMAAIURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-4-17-7-5-6-14-8-10(18(12,15)16)13-11(14)9(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15,16).
What are the key properties of 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).