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

C17H21N3O4S — CID 91627446

IUPAC3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)C2)nn1
InChIInChI=1S/C17H21N3O4S/c1-14-7-8-17(19-18-14)24-16-9-10-20(13-16)25(21,22)12-11-23-15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3
InChIKeyRWFPWQCSNGFDJN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.65
Rot. Bonds7

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

3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine (PubChem CID 91627446) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
PubChem CID91627446
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)C2)nn1
InChIInChI=1S/C17H21N3O4S/c1-14-7-8-17(19-18-14)24-16-9-10-20(13-16)25(21,22)12-11-23-15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3
InChIKeyRWFPWQCSNGFDJN-UHFFFAOYSA-N
XLogP1.65
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
CID 100644194
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874
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
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150768
3-methoxy-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627548

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine (CID 91627446) is 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine is Cc1ccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)C2)nn1.
What is the InChIKey of 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine?
The InChIKey is RWFPWQCSNGFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-14-7-8-17(19-18-14)24-16-9-10-20(13-16)25(21,22)12-11-23-15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3.
What are the key properties of 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine?
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine has a molecular weight of 363.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 91627446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).