4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione

C12H13NO4S — CID 62024021

IUPAC4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione
SMILESCc1cc(C(=O)CN2C(=O)COCC2=O)c(C)s1
InChIInChI=1S/C12H13NO4S/c1-7-3-9(8(2)18-7)10(14)4-13-11(15)5-17-6-12(13)16/h3H,4-6H2,1-2H3
InChIKeyUZYFGSQZTUNGCA-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.93
Rot. Bonds3

About 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione

4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione (PubChem CID 62024021) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione
PubChem CID62024021
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione
SMILESCc1cc(C(=O)CN2C(=O)COCC2=O)c(C)s1
InChIInChI=1S/C12H13NO4S/c1-7-3-9(8(2)18-7)10(14)4-13-11(15)5-17-6-12(13)16/h3H,4-6H2,1-2H3
InChIKeyUZYFGSQZTUNGCA-UHFFFAOYSA-N
XLogP0.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.93
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 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione (CID 62024021) is 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione is Cc1cc(C(=O)CN2C(=O)COCC2=O)c(C)s1.
What is the InChIKey of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione?
The InChIKey is UZYFGSQZTUNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-7-3-9(8(2)18-7)10(14)4-13-11(15)5-17-6-12(13)16/h3H,4-6H2,1-2H3.
What are the key properties of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione?
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione has a molecular weight of 267.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]morpholine-3,5-dione is sourced from PubChem (CID 62024021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).