2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione

C25H33IN2O11S — CID 153351794

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione (PubChem CID 153351794) has the molecular formula C25H33IN2O11S and a molecular weight of 696.51 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione
• PubChem CID: 153351794
• Molecular Formula: C25H33IN2O11S
• Molecular Weight: 696.51 g/mol
• Exact Mass: 696.08
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(S(=O)(=O)CCOCCOCCOCCOCCOCCI)c3C2=O)C(=O)N1
• InChI: InChI=1S/C25H33IN2O11S/c26-6-7-35-8-9-36-10-11-37-12-13-38-14-15-39-16-17-40(33,34)20-3-1-2-18-22(20)25(32)28(24(18)31)19-4-5-21(29)27-23(19)30/h1-3,19H,4-17H2,(H,27,29,30)
• InChIKey: UAKBLAHYMUAWED-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 163.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.51
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione (CID 153351794) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(S(=O)(=O)CCOCCOCCOCCOCCOCCI)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione?

The InChIKey is UAKBLAHYMUAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33IN2O11S/c26-6-7-35-8-9-36-10-11-37-12-13-38-14-15-39-16-17-40(33,34)20-3-1-2-18-22(20)25(32)28(24(18)31)19-4-5-21(29)27-23(19)30/h1-3,19H,4-17H2,(H,27,29,30).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione has a molecular weight of 696.51 g/mol, XLogP of 0.38, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]isoindole-1,3-dione is sourced from PubChem (CID 153351794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).