2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine

C15H17N3O2S — CID 110096230

IUPAC2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1c1cnccn1
InChIInChI=1S/C15H17N3O2S/c19-21(20,12-13-5-2-1-3-6-13)18-10-4-7-15(18)14-11-16-8-9-17-14/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyJAFPDXMNJWNFQW-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine

2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine (PubChem CID 110096230) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine.

Molecular Properties

Compound Name2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
PubChem CID110096230
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1c1cnccn1
InChIInChI=1S/C15H17N3O2S/c19-21(20,12-13-5-2-1-3-6-13)18-10-4-7-15(18)14-11-16-8-9-17-14/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyJAFPDXMNJWNFQW-UHFFFAOYSA-N
XLogP2.14
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
CID 127246933
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine
CID 125001478
2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole
CID 99817986
2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrazine
CID 124955860
5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
CID 110257003
2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine
CID 95821654
(2R)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960005
(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960004
4-[6-[(2R)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997798
4-[6-[(2S)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997797

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine?
The IUPAC name of 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine (CID 110096230) is 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine.
What is the SMILES notation for 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine?
The canonical SMILES for 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine is O=S(=O)(Cc1ccccc1)N1CCCC1c1cnccn1.
What is the InChIKey of 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine?
The InChIKey is JAFPDXMNJWNFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-21(20,12-13-5-2-1-3-6-13)18-10-4-7-15(18)14-11-16-8-9-17-14/h1-3,5-6,8-9,11,15H,4,7,10,12H2.
What are the key properties of 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine?
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine has a molecular weight of 303.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine is sourced from PubChem (CID 110096230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).