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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Related Compounds

4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-1-propan-2-ylsulfonylpiperidine
CID 67448980
3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole
CID 67457434
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
4-[[4-[2-[6-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 147998367
(1-methylcyclopropyl) (1S,5S)-3-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71522417
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine
CID 44608531
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
4-cyclopentyloxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038800
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
CID 129004923

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).