2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

C11H17N3O2S — CID 95817357

IUPAC2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H17N3O2S/c1-9-11(13-6-5-12-9)10-4-3-7-14(8-10)17(2,15)16/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyGJWQMUVJAYJQKB-JTQLQIEISA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds2

About 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 95817357) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID95817357
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H17N3O2S/c1-9-11(13-6-5-12-9)10-4-3-7-14(8-10)17(2,15)16/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyGJWQMUVJAYJQKB-JTQLQIEISA-N
XLogP0.92
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800
2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102174
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
CID 126468341
(3R)-3-(3-chloropyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 95829502
2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 95817357) is 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is Cc1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is GJWQMUVJAYJQKB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-11(13-6-5-12-9)10-4-3-7-14(8-10)17(2,15)16/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 255.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95817357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).