1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C31H38N6O6S — CID 137014816

About 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 137014816) has the molecular formula C31H38N6O6S and a molecular weight of 622.75 g/mol. Its IUPAC name is 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 137014816
• Molecular Formula: C31H38N6O6S
• Molecular Weight: 622.75 g/mol
• Exact Mass: 622.26
• IUPAC Name: 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1cc(N2C(=O)NC(=O)C23CCN(C)CC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(O)cc1)NC2=O
• InChI: InChI=1S/C31H38N6O6S/c1-20-18-23(37-29(41)33-28(40)31(37)11-13-35(3)14-12-31)19-21(2)25(20)8-17-44(42,43)36-15-9-30(10-16-36)27(39)32-26(34-30)22-4-6-24(38)7-5-22/h4-7,18-19,38H,8-17H2,1-3H3,(H,32,34,39)(H,33,40,41)
• InChIKey: ATZGOMGQWQPONH-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 151.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.75
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 137014816) is 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cc(N2C(=O)NC(=O)C23CCN(C)CC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(O)cc1)NC2=O.

What is the InChIKey of 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is ATZGOMGQWQPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O6S/c1-20-18-23(37-29(41)33-28(40)31(37)11-13-35(3)14-12-31)19-21(2)25(20)8-17-44(42,43)36-15-9-30(10-16-36)27(39)32-26(34-30)22-4-6-24(38)7-5-22/h4-7,18-19,38H,8-17H2,1-3H3,(H,32,34,39)(H,33,40,41).

What are the key properties of 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 622.75 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[[2-(4-hydroxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 137014816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).