2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine

C13H19N3O2S — CID 125001478

IUPAC2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine
SMILESO=S(=O)(C1CCCC1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C13H19N3O2S/c17-19(18,11-4-1-2-5-11)16-9-3-6-13(16)12-10-14-7-8-15-12/h7-8,10-11,13H,1-6,9H2/t13-/m0/s1
InChIKeySDLRJASVFKIKFR-ZDUSSCGKSA-N
MW281.38 g/mol
LogP1.89
Rot. Bonds3

About 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine

2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine (PubChem CID 125001478) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine
PubChem CID125001478
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine
SMILESO=S(=O)(C1CCCC1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C13H19N3O2S/c17-19(18,11-4-1-2-5-11)16-9-3-6-13(16)12-10-14-7-8-15-12/h7-8,10-11,13H,1-6,9H2/t13-/m0/s1
InChIKeySDLRJASVFKIKFR-ZDUSSCGKSA-N
XLogP1.89
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine
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2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
2-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazine
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2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
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6-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-4-amine
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2,2-dimethyl-1-[(2R)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
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CID 95843128

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine (CID 125001478) is 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine is O=S(=O)(C1CCCC1)N1CCC[C@H]1c1cnccn1.
What is the InChIKey of 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine?
The InChIKey is SDLRJASVFKIKFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-19(18,11-4-1-2-5-11)16-9-3-6-13(16)12-10-14-7-8-15-12/h7-8,10-11,13H,1-6,9H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine?
2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine has a molecular weight of 281.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 125001478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).