4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine

C12H18N4O3S — CID 124951171

IUPAC4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C12H18N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-12(16)11-10-13-3-4-14-11/h3-4,10,12H,1-2,5-9H2/t12-/m0/s1
InChIKeyDGFDGJKCLVCBMY-LBPRGKRZSA-N
MW298.37 g/mol
LogP0.19
Rot. Bonds3

About 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine

4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 124951171) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
PubChem CID124951171
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C12H18N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-12(16)11-10-13-3-4-14-11/h3-4,10,12H,1-2,5-9H2/t12-/m0/s1
InChIKeyDGFDGJKCLVCBMY-LBPRGKRZSA-N
XLogP0.19
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 110096218
2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine
CID 125001478
4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110096219
2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrazine
CID 124955860
N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
CID 125018998
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
2-[(2R)-1-[(2S)-butan-2-yl]sulfonylpyrrolidin-2-yl]pyrazine
CID 95821654
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
N-methyl-4-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 124957346
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine (CID 124951171) is 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC[C@H]1c1cnccn1.
What is the InChIKey of 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is DGFDGJKCLVCBMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-12(16)11-10-13-3-4-14-11/h3-4,10,12H,1-2,5-9H2/t12-/m0/s1.
What are the key properties of 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 298.37 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 124951171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).