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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).