3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine

C24H33N3O5S — CID 67451014

IUPAC3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine
SMILESCCOc1ccc(N2CCC(OC3CCC(Oc4ccc(S(C)(=O)=O)cc4)CC3)CC2)nn1
InChIInChI=1S/C24H33N3O5S/c1-3-30-24-13-12-23(25-26-24)27-16-14-21(15-17-27)32-19-6-4-18(5-7-19)31-20-8-10-22(11-9-20)33(2,28)29/h8-13,18-19,21H,3-7,14-17H2,1-2H3
InChIKeyYHZHUSNVJPIZMU-UHFFFAOYSA-N
MW475.61 g/mol
LogP3.65
Rot. Bonds8

About 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine

3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine (PubChem CID 67451014) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine
PubChem CID67451014
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine
SMILESCCOc1ccc(N2CCC(OC3CCC(Oc4ccc(S(C)(=O)=O)cc4)CC3)CC2)nn1
InChIInChI=1S/C24H33N3O5S/c1-3-30-24-13-12-23(25-26-24)27-16-14-21(15-17-27)32-19-6-4-18(5-7-19)31-20-8-10-22(11-9-20)33(2,28)29/h8-13,18-19,21H,3-7,14-17H2,1-2H3
InChIKeyYHZHUSNVJPIZMU-UHFFFAOYSA-N
XLogP3.65
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine?
The IUPAC name of 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine (CID 67451014) is 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine.
What is the SMILES notation for 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine?
The canonical SMILES for 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine is CCOc1ccc(N2CCC(OC3CCC(Oc4ccc(S(C)(=O)=O)cc4)CC3)CC2)nn1.
What is the InChIKey of 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine?
The InChIKey is YHZHUSNVJPIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-3-30-24-13-12-23(25-26-24)27-16-14-21(15-17-27)32-19-6-4-18(5-7-19)31-20-8-10-22(11-9-20)33(2,28)29/h8-13,18-19,21H,3-7,14-17H2,1-2H3.
What are the key properties of 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine?
3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine has a molecular weight of 475.61 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine is sourced from PubChem (CID 67451014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).