[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

C13H22N4S — CID 114474796

IUPAC[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2cnc(C)c(C)n2)CC1
InChIInChI=1S/C13H22N4S/c1-10-11(2)16-12(8-15-10)17-6-4-13(9-14,18-3)5-7-17/h8H,4-7,9,14H2,1-3H3
InChIKeyXLRHWLZHPMIEPM-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.75
Rot. Bonds3

About [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 114474796) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID114474796
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2cnc(C)c(C)n2)CC1
InChIInChI=1S/C13H22N4S/c1-10-11(2)16-12(8-15-10)17-6-4-13(9-14,18-3)5-7-17/h8H,4-7,9,14H2,1-3H3
InChIKeyXLRHWLZHPMIEPM-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 114474796) is [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is CSC1(CN)CCN(c2cnc(C)c(C)n2)CC1.
What is the InChIKey of [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is XLRHWLZHPMIEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10-11(2)16-12(8-15-10)17-6-4-13(9-14,18-3)5-7-17/h8H,4-7,9,14H2,1-3H3.
What are the key properties of [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 114474796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).