1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione

C16H22N2O2S — CID 65244105

IUPAC1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCc1cc(CNC2CC(=O)N(C3CCCC3)C2=O)sc1C
InChIInChI=1S/C16H22N2O2S/c1-10-7-13(21-11(10)2)9-17-14-8-15(19)18(16(14)20)12-5-3-4-6-12/h7,12,14,17H,3-6,8-9H2,1-2H3
InChIKeyXYRYUCAGAZAKJW-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione

1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 65244105) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID65244105
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCc1cc(CNC2CC(=O)N(C3CCCC3)C2=O)sc1C
InChIInChI=1S/C16H22N2O2S/c1-10-7-13(21-11(10)2)9-17-14-8-15(19)18(16(14)20)12-5-3-4-6-12/h7,12,14,17H,3-6,8-9H2,1-2H3
InChIKeyXYRYUCAGAZAKJW-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.52
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 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione (CID 65244105) is 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione is Cc1cc(CNC2CC(=O)N(C3CCCC3)C2=O)sc1C.
What is the InChIKey of 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is XYRYUCAGAZAKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10-7-13(21-11(10)2)9-17-14-8-15(19)18(16(14)20)12-5-3-4-6-12/h7,12,14,17H,3-6,8-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione?
1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 306.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 65244105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).