2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine

C10H15N3OS — CID 97162706

IUPAC2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine
SMILESCc1nccnc1[S@](=O)C1CCNCC1
InChIInChI=1S/C10H15N3OS/c1-8-10(13-7-6-12-8)15(14)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3/t15-/m1/s1
InChIKeyZDKPURQHRARZSB-OAHLLOKOSA-N
MW225.32 g/mol
LogP0.64
Rot. Bonds2

About 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine

2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine (PubChem CID 97162706) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine
PubChem CID97162706
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine
SMILESCc1nccnc1[S@](=O)C1CCNCC1
InChIInChI=1S/C10H15N3OS/c1-8-10(13-7-6-12-8)15(14)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3/t15-/m1/s1
InChIKeyZDKPURQHRARZSB-OAHLLOKOSA-N
XLogP0.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
CID 71638994
3-nitro-2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine
CID 97177793
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-chloro-5-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97162641
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
CID 170987698
4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97163181
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine?
The IUPAC name of 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine (CID 97162706) is 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine.
What is the SMILES notation for 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine?
The canonical SMILES for 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine is Cc1nccnc1[S@](=O)C1CCNCC1.
What is the InChIKey of 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine?
The InChIKey is ZDKPURQHRARZSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-10(13-7-6-12-8)15(14)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3/t15-/m1/s1.
What are the key properties of 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine?
2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine has a molecular weight of 225.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine is sourced from PubChem (CID 97162706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).