3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine

C12H19N3O2S — CID 176873028

IUPAC3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine
SMILESCC(C)C1CCN(S(=O)(=O)c2cccnn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-10(2)11-5-8-15(9-6-11)18(16,17)12-4-3-7-13-14-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyZNSMGJXTHOBZPY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds3

About 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine

3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine (PubChem CID 176873028) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine
PubChem CID176873028
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine
SMILESCC(C)C1CCN(S(=O)(=O)c2cccnn2)CC1
InChIInChI=1S/C12H19N3O2S/c1-10(2)11-5-8-15(9-6-11)18(16,17)12-4-3-7-13-14-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyZNSMGJXTHOBZPY-UHFFFAOYSA-N
XLogP1.53
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine (CID 176873028) is 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine is CC(C)C1CCN(S(=O)(=O)c2cccnn2)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine?
The InChIKey is ZNSMGJXTHOBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10(2)11-5-8-15(9-6-11)18(16,17)12-4-3-7-13-14-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine?
3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine has a molecular weight of 269.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine is sourced from PubChem (CID 176873028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).