10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid

C23H28N2O8S — CID 151597791

IUPAC10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
SMILESO=C(O)CCCCCCCCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H28N2O8S/c26-18-13-12-16(21(29)24-18)25-22(30)15-9-8-10-17(20(15)23(25)31)34(32,33)14-7-5-3-1-2-4-6-11-19(27)28/h8-10,16H,1-7,11-14H2,(H,27,28)(H,24,26,29)
InChIKeyQJVIUOHUGOKQNQ-UHFFFAOYSA-N
MW492.55 g/mol
LogP2.07
Rot. Bonds12

About 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid

10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid (PubChem CID 151597791) has the molecular formula C23H28N2O8S and a molecular weight of 492.55 g/mol. Its IUPAC name is 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid.

Molecular Properties

Compound Name10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
PubChem CID151597791
Molecular FormulaC23H28N2O8S
Molecular Weight492.55 g/mol
Exact Mass492.16
IUPAC Name10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
SMILESO=C(O)CCCCCCCCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H28N2O8S/c26-18-13-12-16(21(29)24-18)25-22(30)15-9-8-10-17(20(15)23(25)31)34(32,33)14-7-5-3-1-2-4-6-11-19(27)28/h8-10,16H,1-7,11-14H2,(H,27,28)(H,24,26,29)
InChIKeyQJVIUOHUGOKQNQ-UHFFFAOYSA-N
XLogP2.07
TPSA154.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyltridecanoic acid
CID 152564631
2-(2,6-dioxopiperidin-3-yl)-4-(6-iodohexylsulfonyl)isoindole-1,3-dione
CID 151673072
3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid
CID 153351501
2-(2,6-dioxopiperidin-3-yl)-4-(2-iodoethylsulfonyl)isoindole-1,3-dione
CID 152675638
9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfonyl]nonanoic acid
CID 152570559
2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]acetic acid
CID 153351889
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780
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
4-[2-[2-(2-bromoethoxy)ethoxy]ethylsulfonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153351708

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid?
The IUPAC name of 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid (CID 151597791) is 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid.
What is the SMILES notation for 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid?
The canonical SMILES for 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid is O=C(O)CCCCCCCCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid?
The InChIKey is QJVIUOHUGOKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O8S/c26-18-13-12-16(21(29)24-18)25-22(30)15-9-8-10-17(20(15)23(25)31)34(32,33)14-7-5-3-1-2-4-6-11-19(27)28/h8-10,16H,1-7,11-14H2,(H,27,28)(H,24,26,29).
What are the key properties of 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid?
10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid has a molecular weight of 492.55 g/mol, XLogP of 2.07, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid is sourced from PubChem (CID 151597791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).