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

C18H23N3O2S — CID 110257699

IUPAC2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
SMILESCc1ccccc1-c1nccnc1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C18H23N3O2S/c1-14-6-3-4-8-16(14)18-17(19-9-10-20-18)12-15-7-5-11-21(13-15)24(2,22)23/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3
InChIKeyQZVXMTYKRJTMAG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.67
Rot. Bonds4

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

2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine (PubChem CID 110257699) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
PubChem CID110257699
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
SMILESCc1ccccc1-c1nccnc1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C18H23N3O2S/c1-14-6-3-4-8-16(14)18-17(19-9-10-20-18)12-15-7-5-11-21(13-15)24(2,22)23/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3
InChIKeyQZVXMTYKRJTMAG-UHFFFAOYSA-N
XLogP2.67
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110112210
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
CID 124968603
1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 105116188
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
(3R)-3-[[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 129422437
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
3-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110120284
3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
CID 110113242
3-(2-methylphenyl)-5-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90642118
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine (CID 110257699) is 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine is Cc1ccccc1-c1nccnc1CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine?
The InChIKey is QZVXMTYKRJTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-6-3-4-8-16(14)18-17(19-9-10-20-18)12-15-7-5-11-21(13-15)24(2,22)23/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine?
2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine has a molecular weight of 345.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 110257699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).