4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide

C29H33NO5S — CID 58834554

About 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide

4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 58834554) has the molecular formula C29H33NO5S and a molecular weight of 507.65 g/mol. Its IUPAC name is 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

• Compound Name: 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
• PubChem CID: 58834554
• Molecular Formula: C29H33NO5S
• Molecular Weight: 507.65 g/mol
• Exact Mass: 507.21
• IUPAC Name: 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
• SMILES: COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(C3=CCS(=O)(=O)CC3)ccc2c1
• InChI: InChI=1S/C29H33NO5S/c1-33-26-10-12-28-23(21-26)5-11-27(22-13-19-36(31,32)20-14-22)29(28)35-25-8-6-24(7-9-25)34-18-17-30-15-3-2-4-16-30/h5-13,21H,2-4,14-20H2,1H3
• InChIKey: KFHGBOJMRBJSSU-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 65.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.65
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?

The IUPAC name of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide (CID 58834554) is 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide.

What is the SMILES notation for 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?

The canonical SMILES for 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(C3=CCS(=O)(=O)CC3)ccc2c1.

What is the InChIKey of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?

The InChIKey is KFHGBOJMRBJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO5S/c1-33-26-10-12-28-23(21-26)5-11-27(22-13-19-36(31,32)20-14-22)29(28)35-25-8-6-24(7-9-25)34-18-17-30-15-3-2-4-16-30/h5-13,21H,2-4,14-20H2,1H3.

What are the key properties of 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?

4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 507.65 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 58834554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).