3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione

C17H22N2O3S — CID 110553814

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3cccs3)C(=O)N(C(C)C)C2=O)CC(C)O1
InChIInChI=1S/C17H22N2O3S/c1-10(2)19-16(20)14(13-6-5-7-23-13)15(17(19)21)18-8-11(3)22-12(4)9-18/h5-7,10-12H,8-9H2,1-4H3
InChIKeyRXHARACXSLWZTJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.35
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553814) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553814
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3cccs3)C(=O)N(C(C)C)C2=O)CC(C)O1
InChIInChI=1S/C17H22N2O3S/c1-10(2)19-16(20)14(13-6-5-7-23-13)15(17(19)21)18-8-11(3)22-12(4)9-18/h5-7,10-12H,8-9H2,1-4H3
InChIKeyRXHARACXSLWZTJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553811
3-(2,6-dimethylmorpholin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552227
3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552646
3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553853
1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553167
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555320
1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552990
3-(3,5-dimethylpiperidin-1-yl)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552756
3-(4-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555250
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575238
3-benzylsulfanyl-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553843
3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553444

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553814) is 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione is CC1CN(C2=C(c3cccs3)C(=O)N(C(C)C)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is RXHARACXSLWZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-10(2)19-16(20)14(13-6-5-7-23-13)15(17(19)21)18-8-11(3)22-12(4)9-18/h5-7,10-12H,8-9H2,1-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 334.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).