1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide

C12H21N3O3S — CID 81340007

IUPAC1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCC1CCCO1
InChIInChI=1S/C12H21N3O3S/c1-9(2)12-14-11(19(13,16)17)8-15(12)6-5-10-4-3-7-18-10/h8-10H,3-7H2,1-2H3,(H2,13,16,17)
InChIKeyJSEUWUOOGIYMLB-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide

1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340007) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340007
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCC1CCCO1
InChIInChI=1S/C12H21N3O3S/c1-9(2)12-14-11(19(13,16)17)8-15(12)6-5-10-4-3-7-18-10/h8-10H,3-7H2,1-2H3,(H2,13,16,17)
InChIKeyJSEUWUOOGIYMLB-UHFFFAOYSA-N
XLogP1.22
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
CID 81340289
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride
CID 65166085
1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340380
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66412633
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
3,5-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163200
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817
4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 81340007) is 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is JSEUWUOOGIYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9(2)12-14-11(19(13,16)17)8-15(12)6-5-10-4-3-7-18-10/h8-10H,3-7H2,1-2H3,(H2,13,16,17).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).