2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

C18H23N3O4S — CID 90637218

IUPAC2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3OC)C2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-4-14-5-7-16(8-6-14)26(22,23)21-12-9-15(13-21)25-18-17(24-2)19-10-11-20-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyJEGJBYRDLKJONZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.28
Rot. Bonds7

About 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90637218) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90637218
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3OC)C2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-4-14-5-7-16(8-6-14)26(22,23)21-12-9-15(13-21)25-18-17(24-2)19-10-11-20-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyJEGJBYRDLKJONZ-UHFFFAOYSA-N
XLogP2.28
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
CID 91626995
3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122250176
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
methyl 1-(4-propylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732202
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90637218) is 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is CCCc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3OC)C2)cc1.
What is the InChIKey of 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is JEGJBYRDLKJONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-4-14-5-7-16(8-6-14)26(22,23)21-12-9-15(13-21)25-18-17(24-2)19-10-11-20-18/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3.
What are the key properties of 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 377.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90637218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).