3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine

C11H17N3O2S — CID 97162931

IUPAC3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
SMILESCc1ccc(S(=O)(=O)C[C@@H]2CCCCN2)nn1
InChIInChI=1S/C11H17N3O2S/c1-9-5-6-11(14-13-9)17(15,16)8-10-4-2-3-7-12-10/h5-6,10,12H,2-4,7-8H2,1H3/t10-/m0/s1
InChIKeyKJRNXYBULZEFTR-JTQLQIEISA-N
MW255.34 g/mol
LogP0.70
Rot. Bonds3

About 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine

3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine (PubChem CID 97162931) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
PubChem CID97162931
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
SMILESCc1ccc(S(=O)(=O)C[C@@H]2CCCCN2)nn1
InChIInChI=1S/C11H17N3O2S/c1-9-5-6-11(14-13-9)17(15,16)8-10-4-2-3-7-12-10/h5-6,10,12H,2-4,7-8H2,1H3/t10-/m0/s1
InChIKeyKJRNXYBULZEFTR-JTQLQIEISA-N
XLogP0.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(piperidin-2-ylmethyl)pyridazine-3-sulfonamide
CID 71638761
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
CID 97162673
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638946
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
2-ethylpiperidine;hydrobromide
CID 131717239
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine?
The IUPAC name of 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine (CID 97162931) is 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine?
The canonical SMILES for 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine is Cc1ccc(S(=O)(=O)C[C@@H]2CCCCN2)nn1.
What is the InChIKey of 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine?
The InChIKey is KJRNXYBULZEFTR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-5-6-11(14-13-9)17(15,16)8-10-4-2-3-7-12-10/h5-6,10,12H,2-4,7-8H2,1H3/t10-/m0/s1.
What are the key properties of 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine?
3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine has a molecular weight of 255.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine is sourced from PubChem (CID 97162931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).