2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide

C12H21N3O3S — CID 114624495

IUPAC2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H21N3O3S/c1-8-14-10(19(13,16)17)7-15(8)9-6-11(2,3)18-12(9,4)5/h7,9H,6H2,1-5H3,(H2,13,16,17)
InChIKeySZBZKMNNBQZGMX-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.36
Rot. Bonds2

About 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide

2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide (PubChem CID 114624495) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide
PubChem CID114624495
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H21N3O3S/c1-8-14-10(19(13,16)17)7-15(8)9-6-11(2,3)18-12(9,4)5/h7,9H,6H2,1-5H3,(H2,13,16,17)
InChIKeySZBZKMNNBQZGMX-UHFFFAOYSA-N
XLogP1.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide (CID 114624495) is 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide?
The InChIKey is SZBZKMNNBQZGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-14-10(19(13,16)17)7-15(8)9-6-11(2,3)18-12(9,4)5/h7,9H,6H2,1-5H3,(H2,13,16,17).
What are the key properties of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide?
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 114624495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).