3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H14N2O3S — CID 154689744

IUPAC3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCSc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H14N2O3S/c1-20-11-4-2-3-8-9(11)7-16(14(8)19)10-5-6-12(17)15-13(10)18/h2-4,10H,5-7H2,1H3,(H,15,17,18)
InChIKeyGYMODSUIOZBWQP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.17
Rot. Bonds2

About 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 154689744) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID154689744
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCSc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H14N2O3S/c1-20-11-4-2-3-8-9(11)7-16(14(8)19)10-5-6-12(17)15-13(10)18/h2-4,10H,5-7H2,1H3,(H,15,17,18)
InChIKeyGYMODSUIOZBWQP-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 154689744) is 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CSc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is GYMODSUIOZBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20-11-4-2-3-8-9(11)7-16(14(8)19)10-5-6-12(17)15-13(10)18/h2-4,10H,5-7H2,1H3,(H,15,17,18).
What are the key properties of 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 290.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 154689744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).