2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione

C20H20N2O2S — CID 9001867

About 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione

2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 9001867) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione
• PubChem CID: 9001867
• Molecular Formula: C20H20N2O2S
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.12
• IUPAC Name: 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione
• SMILES: O=C1c2ccccc2C(=O)N1CCN1CCc2sccc2[C@@H]1C1CC1
• InChI: InChI=1S/C20H20N2O2S/c23-19-14-3-1-2-4-15(14)20(24)22(19)11-10-21-9-7-17-16(8-12-25-17)18(21)13-5-6-13/h1-4,8,12-13,18H,5-7,9-11H2/t18-/m0/s1
• InChIKey: KXSZEJHEQBYALT-SFHVURJKSA-N
• XLogP: 3.35
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione (CID 9001867) is 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCc2sccc2[C@@H]1C1CC1.

What is the InChIKey of 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione?

The InChIKey is KXSZEJHEQBYALT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-19-14-3-1-2-4-15(14)20(24)22(19)11-10-21-9-7-17-16(8-12-25-17)18(21)13-5-6-13/h1-4,8,12-13,18H,5-7,9-11H2/t18-/m0/s1.

What are the key properties of 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione?

2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 352.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 9001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).