2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine

C12H19N3O2S — CID 95821654

IUPAC2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine
SMILESCC[C@H](C)S(=O)(=O)N1CCC[C@@H]1c1cnccn1
InChIInChI=1S/C12H19N3O2S/c1-3-10(2)18(16,17)15-8-4-5-12(15)11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3/t10-,12+/m0/s1
InChIKeyLOEJZIBAELVXFS-CMPLNLGQSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds4

About 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine

2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine (PubChem CID 95821654) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine
PubChem CID95821654
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine
SMILESCC[C@H](C)S(=O)(=O)N1CCC[C@@H]1c1cnccn1
InChIInChI=1S/C12H19N3O2S/c1-3-10(2)18(16,17)15-8-4-5-12(15)11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3/t10-,12+/m0/s1
InChIKeyLOEJZIBAELVXFS-CMPLNLGQSA-N
XLogP1.74
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
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4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
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2-(1-ethylsulfonylpiperidin-4-yl)pyrazine
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N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
2-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazine
CID 110269258
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine (CID 95821654) is 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine is CC[C@H](C)S(=O)(=O)N1CCC[C@@H]1c1cnccn1.
What is the InChIKey of 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine?
The InChIKey is LOEJZIBAELVXFS-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-10(2)18(16,17)15-8-4-5-12(15)11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine?
2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine has a molecular weight of 269.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).