3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine

C19H25N3O2S — CID 30849343

IUPAC3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine
SMILESCCCS(=O)(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N3O2S/c1-2-14-25(23,24)19-9-8-18(20-21-19)22-12-10-17(11-13-22)15-16-6-4-3-5-7-16/h3-9,17H,2,10-15H2,1H3
InChIKeyJOXOKFIYXNVVRG-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.12
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine

3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine (PubChem CID 30849343) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine
PubChem CID30849343
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine
SMILESCCCS(=O)(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N3O2S/c1-2-14-25(23,24)19-9-8-18(20-21-19)22-12-10-17(11-13-22)15-16-6-4-3-5-7-16/h3-9,17H,2,10-15H2,1H3
InChIKeyJOXOKFIYXNVVRG-UHFFFAOYSA-N
XLogP3.12
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine (CID 30849343) is 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine is CCCS(=O)(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine?
The InChIKey is JOXOKFIYXNVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-14-25(23,24)19-9-8-18(20-21-19)22-12-10-17(11-13-22)15-16-6-4-3-5-7-16/h3-9,17H,2,10-15H2,1H3.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine?
3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine has a molecular weight of 359.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-6-propylsulfonylpyridazine is sourced from PubChem (CID 30849343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).