2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

C17H21N3O4S — CID 90636426

IUPAC2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H21N3O4S/c1-13(2)23-14-3-5-16(6-4-14)25(21,22)20-10-7-15(12-20)24-17-11-18-8-9-19-17/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3
InChIKeyYAYPEOFQUQLJTE-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636426) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636426
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H21N3O4S/c1-13(2)23-14-3-5-16(6-4-14)25(21,22)20-10-7-15(12-20)24-17-11-18-8-9-19-17/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3
InChIKeyYAYPEOFQUQLJTE-UHFFFAOYSA-N
XLogP2.11
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636426) is 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is CC(C)Oc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)C2)cc1.
What is the InChIKey of 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is YAYPEOFQUQLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13(2)23-14-3-5-16(6-4-14)25(21,22)20-10-7-15(12-20)24-17-11-18-8-9-19-17/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3.
What are the key properties of 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 363.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).