5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole

C18H20N2O3S — CID 92978119

About 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole

5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole (PubChem CID 92978119) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole.

Molecular Properties

• Compound Name: 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole
• PubChem CID: 92978119
• Molecular Formula: C18H20N2O3S
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.12
• IUPAC Name: 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole
• SMILES: COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)cc2c1
• InChI: InChI=1S/C18H20N2O3S/c1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-8-13-7-14(22-3)5-6-15(13)20-17/h5-9,20H,10H2,1-4H3/t24-/m0/s1
• InChIKey: JDZINPGYLDQVQR-DEOSSOPVSA-N
• XLogP: 3.50
• TPSA: 64.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole?

The IUPAC name of 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole (CID 92978119) is 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole.

What is the SMILES notation for 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole?

The canonical SMILES for 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole is COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)cc2c1.

What is the InChIKey of 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole?

The InChIKey is JDZINPGYLDQVQR-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-8-13-7-14(22-3)5-6-15(13)20-17/h5-9,20H,10H2,1-4H3/t24-/m0/s1.

What are the key properties of 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole?

5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole has a molecular weight of 344.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole is sourced from PubChem (CID 92978119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).