2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine

C16H19N3O3S — CID 95822186

IUPAC2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
SMILESCS(=O)(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)19-9-5-6-13(12-19)15-10-17-11-16(18-15)22-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3/t13-/m1/s1
InChIKeyVIMJVQAQJMSJQI-CYBMUJFWSA-N
MW333.41 g/mol
LogP2.41
Rot. Bonds4

About 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine

2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine (PubChem CID 95822186) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine.

Molecular Properties

Compound Name2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
PubChem CID95822186
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
SMILESCS(=O)(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)19-9-5-6-13(12-19)15-10-17-11-16(18-15)22-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3/t13-/m1/s1
InChIKeyVIMJVQAQJMSJQI-CYBMUJFWSA-N
XLogP2.41
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
4-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]benzoic acid
CID 110112232
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110148762

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine?
The IUPAC name of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine (CID 95822186) is 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine.
What is the SMILES notation for 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine?
The canonical SMILES for 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine is CS(=O)(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine?
The InChIKey is VIMJVQAQJMSJQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(20,21)19-9-5-6-13(12-19)15-10-17-11-16(18-15)22-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine?
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine has a molecular weight of 333.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine is sourced from PubChem (CID 95822186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).