3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine

C10H15N3O2S — CID 97162930

IUPAC3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)[C@H]2CCCNC2)nn1
InChIInChI=1S/C10H15N3O2S/c1-8-4-5-10(13-12-8)16(14,15)9-3-2-6-11-7-9/h4-5,9,11H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyVFOMYXCLFFWLGM-VIFPVBQESA-N
MW241.32 g/mol
LogP0.31
Rot. Bonds2

About 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine

3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine (PubChem CID 97162930) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine.

Molecular Properties

Compound Name3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
PubChem CID97162930
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)[C@H]2CCCNC2)nn1
InChIInChI=1S/C10H15N3O2S/c1-8-4-5-10(13-12-8)16(14,15)9-3-2-6-11-7-9/h4-5,9,11H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyVFOMYXCLFFWLGM-VIFPVBQESA-N
XLogP0.31
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride
CID 71638724
6-methyl-N-piperidin-3-ylpyridazine-3-sulfonamide
CID 71638755
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314
5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71643530
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine?
The IUPAC name of 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine (CID 97162930) is 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine.
What is the SMILES notation for 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine?
The canonical SMILES for 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine is Cc1ccc(S(=O)(=O)[C@H]2CCCNC2)nn1.
What is the InChIKey of 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine?
The InChIKey is VFOMYXCLFFWLGM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8-4-5-10(13-12-8)16(14,15)9-3-2-6-11-7-9/h4-5,9,11H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine?
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine has a molecular weight of 241.32 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine is sourced from PubChem (CID 97162930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).