2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid

C19H20N2O10S — CID 153351889

IUPAC2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H20N2O10S/c22-14-5-4-12(17(25)20-14)21-18(26)11-2-1-3-13(16(11)19(21)27)32(28,29)9-8-30-6-7-31-10-15(23)24/h1-3,12H,4-10H2,(H,23,24)(H,20,22,25)
InChIKeyZSPMXADQDMMPFQ-UHFFFAOYSA-N
MW468.44 g/mol
LogP-1.02
Rot. Bonds10

About 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid

2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid (PubChem CID 153351889) has the molecular formula C19H20N2O10S and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid
PubChem CID153351889
Molecular FormulaC19H20N2O10S
Molecular Weight468.44 g/mol
Exact Mass468.08
IUPAC Name2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H20N2O10S/c22-14-5-4-12(17(25)20-14)21-18(26)11-2-1-3-13(16(11)19(21)27)32(28,29)9-8-30-6-7-31-10-15(23)24/h1-3,12H,4-10H2,(H,23,24)(H,20,22,25)
InChIKeyZSPMXADQDMMPFQ-UHFFFAOYSA-N
XLogP-1.02
TPSA173.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid
CID 153351501
4-[2-[2-(2-bromoethoxy)ethoxy]ethylsulfonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153351708
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
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
CID 151597791
13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyltridecanoic acid
CID 152564631
2-(2,6-dioxopiperidin-3-yl)-4-(2-iodoethylsulfonyl)isoindole-1,3-dione
CID 152675638
2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 158398992
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780
2-(2,6-dioxopiperidin-3-yl)-4-(6-iodohexylsulfonyl)isoindole-1,3-dione
CID 151673072
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146309802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid (CID 153351889) is 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid is O=C(O)COCCOCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid?
The InChIKey is ZSPMXADQDMMPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O10S/c22-14-5-4-12(17(25)20-14)21-18(26)11-2-1-3-13(16(11)19(21)27)32(28,29)9-8-30-6-7-31-10-15(23)24/h1-3,12H,4-10H2,(H,23,24)(H,20,22,25).
What are the key properties of 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid?
2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid has a molecular weight of 468.44 g/mol, XLogP of -1.02, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid is sourced from PubChem (CID 153351889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).