2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione

C20H16N2O4S — CID 162643702

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione
SMILESCc1ccc(Sc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C20H16N2O4S/c1-11-5-7-12(8-6-11)27-15-4-2-3-13-17(15)20(26)22(19(13)25)14-9-10-16(23)21-18(14)24/h2-8,14H,9-10H2,1H3,(H,21,23,24)
InChIKeyYLNDENNQIVBSIQ-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.55
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione (PubChem CID 162643702) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione
PubChem CID162643702
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione
SMILESCc1ccc(Sc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C20H16N2O4S/c1-11-5-7-12(8-6-11)27-15-4-2-3-13-17(15)20(26)22(19(13)25)14-9-10-16(23)21-18(14)24/h2-8,14H,9-10H2,1H3,(H,21,23,24)
InChIKeyYLNDENNQIVBSIQ-UHFFFAOYSA-N
XLogP2.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
CID 164762929
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 152541003
2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 153351898
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione (CID 162643702) is 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione is Cc1ccc(Sc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione?
The InChIKey is YLNDENNQIVBSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-11-5-7-12(8-6-11)27-15-4-2-3-13-17(15)20(26)22(19(13)25)14-9-10-16(23)21-18(14)24/h2-8,14H,9-10H2,1H3,(H,21,23,24).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione has a molecular weight of 380.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione is sourced from PubChem (CID 162643702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).