2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

C15H17N3O4S — CID 90636391

IUPAC2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H17N3O4S/c1-21-13-4-2-3-5-14(13)23(19,20)18-9-6-12(11-18)22-15-10-16-7-8-17-15/h2-5,7-8,10,12H,6,9,11H2,1H3
InChIKeyHOLBDRYCFCYWIB-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.33
Rot. Bonds5

About 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636391) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636391
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H17N3O4S/c1-21-13-4-2-3-5-14(13)23(19,20)18-9-6-12(11-18)22-15-10-16-7-8-17-15/h2-5,7-8,10,12H,6,9,11H2,1H3
InChIKeyHOLBDRYCFCYWIB-UHFFFAOYSA-N
XLogP1.33
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637692
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 91627937
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 71799317
5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636391) is 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is COc1ccccc1S(=O)(=O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is HOLBDRYCFCYWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-21-13-4-2-3-5-14(13)23(19,20)18-9-6-12(11-18)22-15-10-16-7-8-17-15/h2-5,7-8,10,12H,6,9,11H2,1H3.
What are the key properties of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 335.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).