3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine

C14H16N4O3S — CID 100629708

IUPAC3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)nn1
InChIInChI=1S/C14H16N4O3S/c1-11-4-5-14(17-16-11)21-12-6-8-18(10-12)22(19,20)13-3-2-7-15-9-13/h2-5,7,9,12H,6,8,10H2,1H3/t12-/m0/s1
InChIKeyJRZTZAHZQWHPSB-LBPRGKRZSA-N
MW320.37 g/mol
LogP1.02
Rot. Bonds4

About 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine

3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 100629708) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID100629708
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)nn1
InChIInChI=1S/C14H16N4O3S/c1-11-4-5-14(17-16-11)21-12-6-8-18(10-12)22(19,20)13-3-2-7-15-9-13/h2-5,7,9,12H,6,8,10H2,1H3/t12-/m0/s1
InChIKeyJRZTZAHZQWHPSB-LBPRGKRZSA-N
XLogP1.02
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
3-methyl-6-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridazine
CID 90559746
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine (CID 100629708) is 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine is Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)nn1.
What is the InChIKey of 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is JRZTZAHZQWHPSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-11-4-5-14(17-16-11)21-12-6-8-18(10-12)22(19,20)13-3-2-7-15-9-13/h2-5,7,9,12H,6,8,10H2,1H3/t12-/m0/s1.
What are the key properties of 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine?
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 320.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 100629708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).