1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione

C15H19N3O4S — CID 42947697

IUPAC1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESCCC1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1
InChIInChI=1S/C15H19N3O4S/c1-2-11-8-16(5-6-22-11)10-18-14(20)13(19)17(15(18)21)9-12-4-3-7-23-12/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyOOJXSCXMIUYENM-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.11
Rot. Bonds5

About 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione

1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 42947697) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID42947697
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESCCC1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1
InChIInChI=1S/C15H19N3O4S/c1-2-11-8-16(5-6-22-11)10-18-14(20)13(19)17(15(18)21)9-12-4-3-7-23-12/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyOOJXSCXMIUYENM-UHFFFAOYSA-N
XLogP1.11
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.11
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-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (CID 42947697) is 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is CCC1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1.
What is the InChIKey of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is OOJXSCXMIUYENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-11-8-16(5-6-22-11)10-18-14(20)13(19)17(15(18)21)9-12-4-3-7-23-12/h3-4,7,11H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 337.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylmorpholin-4-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 42947697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).