6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine

C9H15N5O2S — CID 78988806

IUPAC6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine
SMILESCS(=O)(=O)N1CCN(c2cncc(N)n2)CC1
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)14-4-2-13(3-5-14)9-7-11-6-8(10)12-9/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyBOIGFJGEJSVQOY-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.86
Rot. Bonds2

About 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine

6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine (PubChem CID 78988806) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine
PubChem CID78988806
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine
SMILESCS(=O)(=O)N1CCN(c2cncc(N)n2)CC1
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)14-4-2-13(3-5-14)9-7-11-6-8(10)12-9/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyBOIGFJGEJSVQOY-UHFFFAOYSA-N
XLogP-0.86
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine (CID 78988806) is 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine is CS(=O)(=O)N1CCN(c2cncc(N)n2)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine?
The InChIKey is BOIGFJGEJSVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-17(15,16)14-4-2-13(3-5-14)9-7-11-6-8(10)12-9/h6-7H,2-5H2,1H3,(H2,10,12).
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine?
6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine has a molecular weight of 257.32 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 78988806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).