3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione

C16H22N2O3S — CID 171346967

IUPAC3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
SMILESCc1ccsc1C1CC(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C16H22N2O3S/c1-12-3-10-22-15(12)13-11-14(19)18(16(13)20)5-2-4-17-6-8-21-9-7-17/h3,10,13H,2,4-9,11H2,1H3
InChIKeyUYEHOVAEVUBGKO-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.62
Rot. Bonds5

About 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione

3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione (PubChem CID 171346967) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
PubChem CID171346967
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
SMILESCc1ccsc1C1CC(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C16H22N2O3S/c1-12-3-10-22-15(12)13-11-14(19)18(16(13)20)5-2-4-17-6-8-21-9-7-17/h3,10,13H,2,4-9,11H2,1H3
InChIKeyUYEHOVAEVUBGKO-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione (CID 171346967) is 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione is Cc1ccsc1C1CC(=O)N(CCCN2CCOCC2)C1=O.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione?
The InChIKey is UYEHOVAEVUBGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-3-10-22-15(12)13-11-14(19)18(16(13)20)5-2-4-17-6-8-21-9-7-17/h3,10,13H,2,4-9,11H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione?
3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione has a molecular weight of 322.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 171346967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).