2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine

C16H20N4S2 — CID 141053114

IUPAC2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine
SMILESc1ccc(CCSSc2cncc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H20N4S2/c1-2-4-14(5-3-1)6-11-21-22-16-13-18-12-15(19-16)20-9-7-17-8-10-20/h1-5,12-13,17H,6-11H2
InChIKeyKXQLVFAGVJCSRO-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine

2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine (PubChem CID 141053114) has the molecular formula C16H20N4S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine
PubChem CID141053114
Molecular FormulaC16H20N4S2
Molecular Weight332.50 g/mol
Exact Mass332.11
IUPAC Name2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine
SMILESc1ccc(CCSSc2cncc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H20N4S2/c1-2-4-14(5-3-1)6-11-21-22-16-13-18-12-15(19-16)20-9-7-17-8-10-20/h1-5,12-13,17H,6-11H2
InChIKeyKXQLVFAGVJCSRO-UHFFFAOYSA-N
XLogP2.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine 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

2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 24996534
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
CID 45485742
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
2-(naphthalen-1-ylmethoxy)-6-piperazin-1-ylpyrazine
CID 10267995
[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 133389485
2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
CID 110186182
6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674675
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133389858

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine (CID 141053114) is 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine is c1ccc(CCSSc2cncc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine?
The InChIKey is KXQLVFAGVJCSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S2/c1-2-4-14(5-3-1)6-11-21-22-16-13-18-12-15(19-16)20-9-7-17-8-10-20/h1-5,12-13,17H,6-11H2.
What are the key properties of 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine?
2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine has a molecular weight of 332.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyldisulfanyl)-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 141053114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).