2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate

C24H37N3O7S — CID 166467149

About 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate

2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate (PubChem CID 166467149) has the molecular formula C24H37N3O7S and a molecular weight of 511.64 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
• PubChem CID: 166467149
• Molecular Formula: C24H37N3O7S
• Molecular Weight: 511.64 g/mol
• Exact Mass: 511.24
• IUPAC Name: 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
• SMILES: COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)OCC(C)(C)C(=O)OCCN1CCOCC1
• InChI: InChI=1S/C24H37N3O7S/c1-24(2,23(28)33-15-12-26-10-13-32-14-11-26)18-34-35(29,30)27-17-19(8-9-25(3)4)21-16-20(31-5)6-7-22(21)27/h6-7,16-17H,8-15,18H2,1-5H3
• InChIKey: JDVVXQLJWWFKRQ-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 99.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.64
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?

The IUPAC name of 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate (CID 166467149) is 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate.

What is the SMILES notation for 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?

The canonical SMILES for 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)OCC(C)(C)C(=O)OCCN1CCOCC1.

What is the InChIKey of 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?

The InChIKey is JDVVXQLJWWFKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O7S/c1-24(2,23(28)33-15-12-26-10-13-32-14-11-26)18-34-35(29,30)27-17-19(8-9-25(3)4)21-16-20(31-5)6-7-22(21)27/h6-7,16-17H,8-15,18H2,1-5H3.

What are the key properties of 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?

2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate has a molecular weight of 511.64 g/mol, XLogP of 1.77, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate is sourced from PubChem (CID 166467149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).