4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C54H82FN7O16S14 — CID 167558745

About 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 167558745) has the molecular formula C54H82FN7O16S14 and a molecular weight of 1553.22 g/mol. Its IUPAC name is 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

• Compound Name: 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• PubChem CID: 167558745
• Molecular Formula: C54H82FN7O16S14
• Molecular Weight: 1553.22 g/mol
• Exact Mass: 1551.19
• IUPAC Name: 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• SMILES: C.C.CC(C)(C)OC(=O)NCCCOCCOCCOCCCN.CCCCOCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.S=S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C24H33N3O7.C15H32N2O5.C13H9FN2O4.2CH4.S14/c1-2-3-11-32-13-15-34-16-14-33-12-5-10-25-18-7-4-6-17-21(18)24(31)27(23(17)30)19-8-9-20(28)26-22(19)29;1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;;;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4,6-7,19,25H,2-3,5,8-16H2,1H3,(H,26,28,29);4-13,16H2,1-3H3,(H,17,18);1-3,8H,4-5H2,(H,15,17,18);2*1H4
• InChIKey: DIYMQKRZUPEIEX-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 298.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1553.22
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The IUPAC name of 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 167558745) is 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

What is the SMILES notation for 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The canonical SMILES for 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C.C.CC(C)(C)OC(=O)NCCCOCCOCCOCCCN.CCCCOCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.S=S=S=S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The InChIKey is DIYMQKRZUPEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O7.C15H32N2O5.C13H9FN2O4.2CH4.S14/c1-2-3-11-32-13-15-34-16-14-33-12-5-10-25-18-7-4-6-17-21(18)24(31)27(23(17)30)19-8-9-20(28)26-22(19)29;1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;;;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4,6-7,19,25H,2-3,5,8-16H2,1H3,(H,26,28,29);4-13,16H2,1-3H3,(H,17,18);1-3,8H,4-5H2,(H,15,17,18);2*1H4;.

What are the key properties of 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1553.22 g/mol, XLogP of 4.51, 29 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 167558745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).