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

C13H15N3O3S2 — CID 90636381

IUPAC2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)C2)s1
InChIInChI=1S/C13H15N3O3S2/c1-10-2-3-13(20-10)21(17,18)16-7-4-11(9-16)19-12-8-14-5-6-15-12/h2-3,5-6,8,11H,4,7,9H2,1H3
InChIKeyQQYNFNGWWIFLAP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.69
Rot. Bonds4

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

2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636381) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636381
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)C2)s1
InChIInChI=1S/C13H15N3O3S2/c1-10-2-3-13(20-10)21(17,18)16-7-4-11(9-16)19-12-8-14-5-6-15-12/h2-3,5-6,8,11H,4,7,9H2,1H3
InChIKeyQQYNFNGWWIFLAP-UHFFFAOYSA-N
XLogP1.69
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122247367
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
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-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636381) is 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is Cc1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)C2)s1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is QQYNFNGWWIFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-10-2-3-13(20-10)21(17,18)16-7-4-11(9-16)19-12-8-14-5-6-15-12/h2-3,5-6,8,11H,4,7,9H2,1H3.
What are the key properties of 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 325.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).