1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide

C9H17N3O3S — CID 81341051

IUPAC1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCOCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C9H17N3O3S/c1-7(2)9-11-8(16(10,13)14)6-12(9)4-5-15-3/h6-7H,4-5H2,1-3H3,(H2,10,13,14)
InChIKeyDCBVNPYSJSVKNG-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.30
Rot. Bonds5

About 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide

1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81341051) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81341051
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCOCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C9H17N3O3S/c1-7(2)9-11-8(16(10,13)14)6-12(9)4-5-15-3/h6-7H,4-5H2,1-3H3,(H2,10,13,14)
InChIKeyDCBVNPYSJSVKNG-UHFFFAOYSA-N
XLogP0.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide (CID 81341051) is 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide is COCCn1cc(S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is DCBVNPYSJSVKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(2)9-11-8(16(10,13)14)6-12(9)4-5-15-3/h6-7H,4-5H2,1-3H3,(H2,10,13,14).
What are the key properties of 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide?
1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81341051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).