4-(2-thiophen-2-ylethyl)morpholine-3,5-dione

C10H11NO3S — CID 13455298

IUPAC4-(2-thiophen-2-ylethyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCc1cccs1
InChIInChI=1S/C10H11NO3S/c12-9-6-14-7-10(13)11(9)4-3-8-2-1-5-15-8/h1-2,5H,3-4,6-7H2
InChIKeyKSWXOSLEXRZWGV-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.68
Rot. Bonds3

About 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione

4-(2-thiophen-2-ylethyl)morpholine-3,5-dione (PubChem CID 13455298) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethyl)morpholine-3,5-dione
PubChem CID13455298
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name4-(2-thiophen-2-ylethyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCc1cccs1
InChIInChI=1S/C10H11NO3S/c12-9-6-14-7-10(13)11(9)4-3-8-2-1-5-15-8/h1-2,5H,3-4,6-7H2
InChIKeyKSWXOSLEXRZWGV-UHFFFAOYSA-N
XLogP0.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
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 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione?
The IUPAC name of 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione (CID 13455298) is 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione is O=C1COCC(=O)N1CCc1cccs1.
What is the InChIKey of 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione?
The InChIKey is KSWXOSLEXRZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9-6-14-7-10(13)11(9)4-3-8-2-1-5-15-8/h1-2,5H,3-4,6-7H2.
What are the key properties of 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione?
4-(2-thiophen-2-ylethyl)morpholine-3,5-dione has a molecular weight of 225.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethyl)morpholine-3,5-dione is sourced from PubChem (CID 13455298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).