2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine

C16H19N3O3S — CID 110259171

IUPAC2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
SMILESCOc1cccc(S(=O)(=O)N2CCCC(c3cnccn3)C2)c1
InChIInChI=1S/C16H19N3O3S/c1-22-14-5-2-6-15(10-14)23(20,21)19-9-3-4-13(12-19)16-11-17-7-8-18-16/h2,5-8,10-11,13H,3-4,9,12H2,1H3
InChIKeyYMGPSQVZNLZEMB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.05
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine

2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine (PubChem CID 110259171) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
PubChem CID110259171
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
SMILESCOc1cccc(S(=O)(=O)N2CCCC(c3cnccn3)C2)c1
InChIInChI=1S/C16H19N3O3S/c1-22-14-5-2-6-15(10-14)23(20,21)19-9-3-4-13(12-19)16-11-17-7-8-18-16/h2,5-8,10-11,13H,3-4,9,12H2,1H3
InChIKeyYMGPSQVZNLZEMB-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
CID 124956425
1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
CID 91909491
2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 95829531
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
6-[(dimethylamino)methyl]-2-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]-N,N-dimethylpyrimidin-4-amine
CID 95830239
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259
1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703854

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine (CID 110259171) is 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine is COc1cccc(S(=O)(=O)N2CCCC(c3cnccn3)C2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine?
The InChIKey is YMGPSQVZNLZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-14-5-2-6-15(10-14)23(20,21)19-9-3-4-13(12-19)16-11-17-7-8-18-16/h2,5-8,10-11,13H,3-4,9,12H2,1H3.
What are the key properties of 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine?
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine has a molecular weight of 333.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 110259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).