6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C24H27N3O3S — CID 55429659

About 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55429659) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 55429659
• Molecular Formula: C24H27N3O3S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.18
• IUPAC Name: 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: CC1CCCCC12NC(=O)N(CC(=O)N1CCc3sccc3C1c1ccccc1)C2=O
• InChI: InChI=1S/C24H27N3O3S/c1-16-7-5-6-12-24(16)22(29)27(23(30)25-24)15-20(28)26-13-10-19-18(11-14-31-19)21(26)17-8-3-2-4-9-17/h2-4,8-9,11,14,16,21H,5-7,10,12-13,15H2,1H3,(H,25,30)
• InChIKey: ZHHXJQKUKWRWRD-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55429659) is 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCCC12NC(=O)N(CC(=O)N1CCc3sccc3C1c1ccccc1)C2=O.

What is the InChIKey of 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is ZHHXJQKUKWRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-7-5-6-12-24(16)22(29)27(23(30)25-24)15-20(28)26-13-10-19-18(11-14-31-19)21(26)17-8-3-2-4-9-17/h2-4,8-9,11,14,16,21H,5-7,10,12-13,15H2,1H3,(H,25,30).

What are the key properties of 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 437.57 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55429659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).