3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine

C18H23N3O3S — CID 90638915

IUPAC3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)C2)c(C)c1
InChIInChI=1S/C18H23N3O3S/c1-12-9-13(2)18(14(3)10-12)25(22,23)21-8-7-16(11-21)24-17-6-5-15(4)19-20-17/h5-6,9-10,16H,7-8,11H2,1-4H3
InChIKeyALIKFZUQODRHRP-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.55
Rot. Bonds4

About 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine

3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 90638915) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID90638915
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)C2)c(C)c1
InChIInChI=1S/C18H23N3O3S/c1-12-9-13(2)18(14(3)10-12)25(22,23)21-8-7-16(11-21)24-17-6-5-15(4)19-20-17/h5-6,9-10,16H,7-8,11H2,1-4H3
InChIKeyALIKFZUQODRHRP-UHFFFAOYSA-N
XLogP2.55
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
3,5-dimethyl-4-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 100643933
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridazine
CID 90559750
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
5-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100630109
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 90638915) is 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine is Cc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)C2)c(C)c1.
What is the InChIKey of 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is ALIKFZUQODRHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-9-13(2)18(14(3)10-12)25(22,23)21-8-7-16(11-21)24-17-6-5-15(4)19-20-17/h5-6,9-10,16H,7-8,11H2,1-4H3.
What are the key properties of 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 361.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 90638915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).