2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid

C25H37N3O11S — CID 153375812

About 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid

2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid (PubChem CID 153375812) has the molecular formula C25H37N3O11S and a molecular weight of 587.65 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
• PubChem CID: 153375812
• Molecular Formula: C25H37N3O11S
• Molecular Weight: 587.65 g/mol
• Exact Mass: 587.21
• IUPAC Name: 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
• SMILES: O=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOCCS(=O)(=O)O)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H37N3O11S/c29-23-5-4-22(24(30)27-23)28-18-20-19(25(28)31)2-1-3-21(20)26-6-7-35-8-9-36-10-11-37-12-13-38-14-15-39-16-17-40(32,33)34/h1-3,22,26H,4-18H2,(H,27,29,30)(H,32,33,34)
• InChIKey: PHGDGYITRFHEER-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 179.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.65
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid?

The IUPAC name of 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid (CID 153375812) is 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid is O=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOCCS(=O)(=O)O)cccc3C2=O)C(=O)N1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid?

The InChIKey is PHGDGYITRFHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O11S/c29-23-5-4-22(24(30)27-23)28-18-20-19(25(28)31)2-1-3-21(20)26-6-7-35-8-9-36-10-11-37-12-13-38-14-15-39-16-17-40(32,33)34/h1-3,22,26H,4-18H2,(H,27,29,30)(H,32,33,34).

What are the key properties of 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid?

2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid has a molecular weight of 587.65 g/mol, XLogP of -0.17, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid is sourced from PubChem (CID 153375812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).