3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione

C14H20N2O2S — CID 61473514

IUPAC3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)c2ccc(C)s2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-7-16-13(17)8-11(14(16)18)15-10(3)12-6-5-9(2)19-12/h5-6,10-11,15H,4,7-8H2,1-3H3
InChIKeyKRZRXLDHYYFZNU-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.24
Rot. Bonds5

About 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione

3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione (PubChem CID 61473514) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
PubChem CID61473514
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)c2ccc(C)s2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-7-16-13(17)8-11(14(16)18)15-10(3)12-6-5-9(2)19-12/h5-6,10-11,15H,4,7-8H2,1-3H3
InChIKeyKRZRXLDHYYFZNU-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione (CID 61473514) is 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC(C)c2ccc(C)s2)C1=O.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is KRZRXLDHYYFZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-7-16-13(17)8-11(14(16)18)15-10(3)12-6-5-9(2)19-12/h5-6,10-11,15H,4,7-8H2,1-3H3.
What are the key properties of 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 61473514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).