1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

C14H17N3O4S — CID 9193321

IUPAC1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCOCC2)C(=O)N1CCc1cccs1
InChIInChI=1S/C14H17N3O4S/c18-12-13(19)17(10-15-5-7-21-8-6-15)14(20)16(12)4-3-11-2-1-9-22-11/h1-2,9H,3-8,10H2
InChIKeyPEBXEWIMZMUNRH-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.37
Rot. Bonds5

About 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione (PubChem CID 9193321) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
PubChem CID9193321
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCOCC2)C(=O)N1CCc1cccs1
InChIInChI=1S/C14H17N3O4S/c18-12-13(19)17(10-15-5-7-21-8-6-15)14(20)16(12)4-3-11-2-1-9-22-11/h1-2,9H,3-8,10H2
InChIKeyPEBXEWIMZMUNRH-UHFFFAOYSA-N
XLogP0.37
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione (CID 9193321) is 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(CN2CCOCC2)C(=O)N1CCc1cccs1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The InChIKey is PEBXEWIMZMUNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-12-13(19)17(10-15-5-7-21-8-6-15)14(20)16(12)4-3-11-2-1-9-22-11/h1-2,9H,3-8,10H2.
What are the key properties of 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione has a molecular weight of 323.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 9193321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).