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

C15H14N2O4S — CID 164762929

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
SMILESCCSc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H14N2O4S/c1-2-22-10-5-3-4-8-12(10)15(21)17(14(8)20)9-6-7-11(18)16-13(9)19/h3-5,9H,2,6-7H2,1H3,(H,16,18,19)
InChIKeyGUJUGESQAKYZDT-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.20
Rot. Bonds3

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

2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione (PubChem CID 164762929) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
PubChem CID164762929
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
SMILESCCSc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H14N2O4S/c1-2-22-10-5-3-4-8-12(10)15(21)17(14(8)20)9-6-7-11(18)16-13(9)19/h3-5,9H,2,6-7H2,1H3,(H,16,18,19)
InChIKeyGUJUGESQAKYZDT-UHFFFAOYSA-N
XLogP1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.20
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-(8-sulfanyloctylsulfanyl)isoindole-1,3-dione
CID 164762955
4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylsulfanyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153351805
2-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfanylisoindole-1,3-dione
CID 162643702
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethylsulfanyl)isoindole-1,3-dione
CID 175716595
2-(2,6-dioxopiperidin-3-yl)-4-[3-(3-iodopropoxy)propylsulfanyl]isoindole-1,3-dione
CID 151932703
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
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
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
2-(2,6-dioxopiperidin-3-yl)-4-(9-piperazin-1-ylnonylsulfanyl)isoindole-1,3-dione
CID 175716645
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 153351898

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione (CID 164762929) is 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione is CCSc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione?
The InChIKey is GUJUGESQAKYZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-2-22-10-5-3-4-8-12(10)15(21)17(14(8)20)9-6-7-11(18)16-13(9)19/h3-5,9H,2,6-7H2,1H3,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione has a molecular weight of 318.35 g/mol, XLogP of 1.20, 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-ethylsulfanylisoindole-1,3-dione is sourced from PubChem (CID 164762929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).