2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

C16H19N3O5S — CID 90636364

IUPAC2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3cnccn3)C2)c1
InChIInChI=1S/C16H19N3O5S/c1-22-12-3-4-14(23-2)15(9-12)25(20,21)19-8-5-13(11-19)24-16-10-17-6-7-18-16/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3
InChIKeyPNJCMEYIDNUMKS-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.34
Rot. Bonds6

About 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636364) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636364
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3cnccn3)C2)c1
InChIInChI=1S/C16H19N3O5S/c1-22-12-3-4-14(23-2)15(9-12)25(20,21)19-8-5-13(11-19)24-16-10-17-6-7-18-16/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3
InChIKeyPNJCMEYIDNUMKS-UHFFFAOYSA-N
XLogP1.34
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 71799317

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636364) is 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3cnccn3)C2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is PNJCMEYIDNUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-22-12-3-4-14(23-2)15(9-12)25(20,21)19-8-5-13(11-19)24-16-10-17-6-7-18-16/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 365.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).