3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine

C13H16N4O3S2 — CID 100725997

IUPAC3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C13H16N4O3S2/c14-12-13(16-6-5-15-12)21-9-10-3-4-11(20-10)22(18,19)17-7-1-2-8-17/h3-6H,1-2,7-9H2,(H2,14,15)
InChIKeyJLABIPMHVYEVMH-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.73
Rot. Bonds5

About 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine

3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 100725997) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID100725997
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C13H16N4O3S2/c14-12-13(16-6-5-15-12)21-9-10-3-4-11(20-10)22(18,19)17-7-1-2-8-17/h3-6H,1-2,7-9H2,(H2,14,15)
InChIKeyJLABIPMHVYEVMH-UHFFFAOYSA-N
XLogP1.73
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140
5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 47038783
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 94178041
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
CID 47053734
N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46479604
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106679263
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
CID 55827224
(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850

Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine (CID 100725997) is 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is JLABIPMHVYEVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c14-12-13(16-6-5-15-12)21-9-10-3-4-11(20-10)22(18,19)17-7-1-2-8-17/h3-6H,1-2,7-9H2,(H2,14,15).
What are the key properties of 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine?
3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 100725997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).