2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine

C12H17N3O4S — CID 91626995

IUPAC2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
SMILESCOc1nccnc1OC1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H17N3O4S/c1-18-11-12(14-6-5-13-11)19-9-4-7-15(8-9)20(16,17)10-2-3-10/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyGHYXQCOGNNDVGB-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.43
Rot. Bonds5

About 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine

2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine (PubChem CID 91626995) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
PubChem CID91626995
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
SMILESCOc1nccnc1OC1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H17N3O4S/c1-18-11-12(14-6-5-13-11)19-9-4-7-15(8-9)20(16,17)10-2-3-10/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyGHYXQCOGNNDVGB-UHFFFAOYSA-N
XLogP0.43
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626871
2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637218
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626857
3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653359
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine?
The IUPAC name of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine (CID 91626995) is 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine?
The canonical SMILES for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine is COc1nccnc1OC1CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine?
The InChIKey is GHYXQCOGNNDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-18-11-12(14-6-5-13-11)19-9-4-7-15(8-9)20(16,17)10-2-3-10/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine?
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine has a molecular weight of 299.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine is sourced from PubChem (CID 91626995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).