5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione

C28H37N5O5S — CID 66818265

About 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione (PubChem CID 66818265) has the molecular formula C28H37N5O5S and a molecular weight of 555.70 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 66818265
• Molecular Formula: C28H37N5O5S
• Molecular Weight: 555.70 g/mol
• Exact Mass: 555.25
• IUPAC Name: 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione
• SMILES: Cc1cc(N2C(=O)NC(C)(C)C2=O)ccc1C=CS(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C)CC1)NC2=O
• InChI: InChI=1S/C28H37N5O5S/c1-18-5-7-21(8-6-18)23-29-24(34)28(30-23)12-14-32(15-13-28)39(37,38)16-11-20-9-10-22(17-19(20)2)33-25(35)27(3,4)31-26(33)36/h9-11,16-18,21H,5-8,12-15H2,1-4H3,(H,31,36)(H,29,30,34)
• InChIKey: PURRKSXXZCKMCZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 128.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.70
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione (CID 66818265) is 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione is Cc1cc(N2C(=O)NC(C)(C)C2=O)ccc1C=CS(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C)CC1)NC2=O.

What is the InChIKey of 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is PURRKSXXZCKMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O5S/c1-18-5-7-21(8-6-18)23-29-24(34)28(30-23)12-14-32(15-13-28)39(37,38)16-11-20-9-10-22(17-19(20)2)33-25(35)27(3,4)31-26(33)36/h9-11,16-18,21H,5-8,12-15H2,1-4H3,(H,31,36)(H,29,30,34).

What are the key properties of 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?

5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 555.70 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-[3-methyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66818265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).