5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide

C18H20N4O5S — CID 11090750

IUPAC5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cncc1[C@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C18H20N4O5S/c1-20(2)28(25,26)22-11-19-9-15(22)16-8-7-12(27-16)10-21-17(23)13-5-3-4-6-14(13)18(21)24/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t12-,16+/m0/s1
InChIKeyWNIRDTBUPJLHMV-BLLLJJGKSA-N
MW404.45 g/mol
LogP1.05
Rot. Bonds5

About 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide

5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 11090750) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide
PubChem CID11090750
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cncc1[C@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C18H20N4O5S/c1-20(2)28(25,26)22-11-19-9-15(22)16-8-7-12(27-16)10-21-17(23)13-5-3-4-6-14(13)18(21)24/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t12-,16+/m0/s1
InChIKeyWNIRDTBUPJLHMV-BLLLJJGKSA-N
XLogP1.05
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide (CID 11090750) is 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cncc1[C@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)O1.
What is the InChIKey of 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is WNIRDTBUPJLHMV-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-20(2)28(25,26)22-11-19-9-15(22)16-8-7-12(27-16)10-21-17(23)13-5-3-4-6-14(13)18(21)24/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t12-,16+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide?
5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 404.45 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 11090750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).