2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine

C19H19N3OS — CID 133389717

IUPAC2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine
SMILESc1ccc(CSc2cncc(N3CCCC3c3ccco3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-6-15(7-3-1)14-24-19-13-20-12-18(21-19)22-10-4-8-16(22)17-9-5-11-23-17/h1-3,5-7,9,11-13,16H,4,8,10,14H2
InChIKeyTWSAPSKVJDIIGS-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.70
Rot. Bonds5

About 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine

2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine (PubChem CID 133389717) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine
PubChem CID133389717
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine
SMILESc1ccc(CSc2cncc(N3CCCC3c3ccco3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-6-15(7-3-1)14-24-19-13-20-12-18(21-19)22-10-4-8-16(22)17-9-5-11-23-17/h1-3,5-7,9,11-13,16H,4,8,10,14H2
InChIKeyTWSAPSKVJDIIGS-UHFFFAOYSA-N
XLogP4.70
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine 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-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine (CID 133389717) is 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine is c1ccc(CSc2cncc(N3CCCC3c3ccco3)n2)cc1.
What is the InChIKey of 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine?
The InChIKey is TWSAPSKVJDIIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-6-15(7-3-1)14-24-19-13-20-12-18(21-19)22-10-4-8-16(22)17-9-5-11-23-17/h1-3,5-7,9,11-13,16H,4,8,10,14H2.
What are the key properties of 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine?
2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine has a molecular weight of 337.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 133389717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).