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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Related Compounds

1H-Imidazole-5-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071466
Morpholinium, 4-methyl-4-(3-(((1-methyl-1H-imidazol-4-yl)sulfonyl)amino)propyl)-, iodide
CID 3071468
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-
CID 3071470
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3078101
1H-Imidazole-4-sulfonamide, 1-methyl-N-(2-methyl-3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071450
1H-Imidazole-4-sulfonamide, 1-methyl-N-(4-(4-morpholinyl)butyl)-, monohydrochloride
CID 3078102
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-2-(propan-2-yl)-1H-imidazole-5-sulfonyl chloride
CID 129980896
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
1-(cyclopropylmethyl)-2-ethyl-1H-imidazole-4-sulfonyl chloride
CID 64151937
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-sulfonamide
CID 122199026

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).