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

C11H17N3O2S — CID 97162673

IUPAC2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
SMILESCc1nccnc1S(=O)(=O)C[C@@H]1CCCCN1
InChIInChI=1S/C11H17N3O2S/c1-9-11(14-7-6-12-9)17(15,16)8-10-4-2-3-5-13-10/h6-7,10,13H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyQGFMYRUORVJEDE-JTQLQIEISA-N
MW255.34 g/mol
LogP0.70
Rot. Bonds3

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

2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine (PubChem CID 97162673) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
PubChem CID97162673
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
SMILESCc1nccnc1S(=O)(=O)C[C@@H]1CCCCN1
InChIInChI=1S/C11H17N3O2S/c1-9-11(14-7-6-12-9)17(15,16)8-10-4-2-3-5-13-10/h6-7,10,13H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyQGFMYRUORVJEDE-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

Analyze 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine 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-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
CID 97162931
4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638946
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
2-ethylpiperidine;hydrobromide
CID 131717239
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine?
The IUPAC name of 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine (CID 97162673) is 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine.
What is the SMILES notation for 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine?
The canonical SMILES for 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine is Cc1nccnc1S(=O)(=O)C[C@@H]1CCCCN1.
What is the InChIKey of 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine?
The InChIKey is QGFMYRUORVJEDE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-11(14-7-6-12-9)17(15,16)8-10-4-2-3-5-13-10/h6-7,10,13H,2-5,8H2,1H3/t10-/m0/s1.
What are the key properties of 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine?
2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine 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 2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine is sourced from PubChem (CID 97162673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).