N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine

C11H18N4S — CID 66450723

IUPACN-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(N2CCSCC2C)n1
InChIInChI=1S/C11H18N4S/c1-9-8-16-4-3-15(9)11-7-13-6-10(14-11)5-12-2/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyXELLJHFHMQIYIB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.14
Rot. Bonds3

About N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine

N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine (PubChem CID 66450723) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine
PubChem CID66450723
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(N2CCSCC2C)n1
InChIInChI=1S/C11H18N4S/c1-9-8-16-4-3-15(9)11-7-13-6-10(14-11)5-12-2/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyXELLJHFHMQIYIB-UHFFFAOYSA-N
XLogP1.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine (CID 66450723) is N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine is CNCc1cncc(N2CCSCC2C)n1.
What is the InChIKey of N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine?
The InChIKey is XELLJHFHMQIYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-9-8-16-4-3-15(9)11-7-13-6-10(14-11)5-12-2/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine?
N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine has a molecular weight of 238.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66450723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).