2-piperidin-4-ylsulfanylpyrazine

C9H13N3S — CID 63381886

IUPAC2-piperidin-4-ylsulfanylpyrazine
SMILESc1cnc(SC2CCNCC2)cn1
InChIInChI=1S/C9H13N3S/c1-3-10-4-2-8(1)13-9-7-11-5-6-12-9/h5-8,10H,1-4H2
InChIKeyPRDMNJVXEQHYPC-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.32
Rot. Bonds2

About 2-piperidin-4-ylsulfanylpyrazine

2-piperidin-4-ylsulfanylpyrazine (PubChem CID 63381886) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanylpyrazine.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanylpyrazine
PubChem CID63381886
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-piperidin-4-ylsulfanylpyrazine
SMILESc1cnc(SC2CCNCC2)cn1
InChIInChI=1S/C9H13N3S/c1-3-10-4-2-8(1)13-9-7-11-5-6-12-9/h5-8,10H,1-4H2
InChIKeyPRDMNJVXEQHYPC-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-ylsulfanylpyrazine 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-piperidin-4-ylsulfanylpyrazine?
The IUPAC name of 2-piperidin-4-ylsulfanylpyrazine (CID 63381886) is 2-piperidin-4-ylsulfanylpyrazine.
What is the SMILES notation for 2-piperidin-4-ylsulfanylpyrazine?
The canonical SMILES for 2-piperidin-4-ylsulfanylpyrazine is c1cnc(SC2CCNCC2)cn1.
What is the InChIKey of 2-piperidin-4-ylsulfanylpyrazine?
The InChIKey is PRDMNJVXEQHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-3-10-4-2-8(1)13-9-7-11-5-6-12-9/h5-8,10H,1-4H2.
What are the key properties of 2-piperidin-4-ylsulfanylpyrazine?
2-piperidin-4-ylsulfanylpyrazine has a molecular weight of 195.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanylpyrazine is sourced from PubChem (CID 63381886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).