3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine

C18H23N3O4S — CID 100644194

IUPAC3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@@H]2CCCN(S(=O)(=O)CCOc3ccccc3)C2)nn1
InChIInChI=1S/C18H23N3O4S/c1-15-9-10-18(20-19-15)25-17-8-5-11-21(14-17)26(22,23)13-12-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m1/s1
InChIKeyHUZWQXBVGKMJGY-QGZVFWFLSA-N
MW377.47 g/mol
LogP2.04
Rot. Bonds7

About 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine

3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine (PubChem CID 100644194) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
PubChem CID100644194
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@@H]2CCCN(S(=O)(=O)CCOc3ccccc3)C2)nn1
InChIInChI=1S/C18H23N3O4S/c1-15-9-10-18(20-19-15)25-17-8-5-11-21(14-17)26(22,23)13-12-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m1/s1
InChIKeyHUZWQXBVGKMJGY-QGZVFWFLSA-N
XLogP2.04
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
3-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628106
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3,5-dimethyl-4-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 100643933
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90639359
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine (CID 100644194) is 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine is Cc1ccc(O[C@@H]2CCCN(S(=O)(=O)CCOc3ccccc3)C2)nn1.
What is the InChIKey of 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine?
The InChIKey is HUZWQXBVGKMJGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-15-9-10-18(20-19-15)25-17-8-5-11-21(14-17)26(22,23)13-12-24-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m1/s1.
What are the key properties of 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine?
3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine has a molecular weight of 377.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine is sourced from PubChem (CID 100644194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).