2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine

C16H19N3O2S — CID 95829531

IUPAC2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
SMILESCc1ccccc1S(=O)(=O)N1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C16H19N3O2S/c1-13-5-2-3-7-16(13)22(20,21)19-10-4-6-14(12-19)15-11-17-8-9-18-15/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3/t14-/m0/s1
InChIKeyWTVAQWODFCVDOL-AWEZNQCLSA-N
MW317.41 g/mol
LogP2.35
Rot. Bonds3

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

2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine (PubChem CID 95829531) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
PubChem CID95829531
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
SMILESCc1ccccc1S(=O)(=O)N1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C16H19N3O2S/c1-13-5-2-3-7-16(13)22(20,21)19-10-4-6-14(12-19)15-11-17-8-9-18-15/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3/t14-/m0/s1
InChIKeyWTVAQWODFCVDOL-AWEZNQCLSA-N
XLogP2.35
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
4-(2-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246296
methyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79476883
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazole-4-carboxylic acid
CID 138044069

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine (CID 95829531) is 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine is Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2cnccn2)C1.
What is the InChIKey of 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine?
The InChIKey is WTVAQWODFCVDOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-13-5-2-3-7-16(13)22(20,21)19-10-4-6-14(12-19)15-11-17-8-9-18-15/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine?
2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine has a molecular weight of 317.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95829531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).