3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine

C15H17N3O3S — CID 90638513

IUPAC3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H17N3O3S/c19-22(20,12-13-5-2-1-3-6-13)18-10-8-14(11-18)21-15-7-4-9-16-17-15/h1-7,9,14H,8,10-12H2
InChIKeyRUIXFWGSHHSBHV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.46
Rot. Bonds5

About 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine

3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine (PubChem CID 90638513) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine.

Molecular Properties

Compound Name3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
PubChem CID90638513
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H17N3O3S/c19-22(20,12-13-5-2-1-3-6-13)18-10-8-14(11-18)21-15-7-4-9-16-17-15/h1-7,9,14H,8,10-12H2
InChIKeyRUIXFWGSHHSBHV-UHFFFAOYSA-N
XLogP1.46
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 90638515
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638544
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 91627303
3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
CID 121060992

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine?
The IUPAC name of 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine (CID 90638513) is 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine.
What is the SMILES notation for 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine?
The canonical SMILES for 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine is O=S(=O)(Cc1ccccc1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine?
The InChIKey is RUIXFWGSHHSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-22(20,12-13-5-2-1-3-6-13)18-10-8-14(11-18)21-15-7-4-9-16-17-15/h1-7,9,14H,8,10-12H2.
What are the key properties of 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine?
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine has a molecular weight of 319.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine is sourced from PubChem (CID 90638513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).