[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine

C12H20N4S — CID 71643423

IUPAC[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine
SMILESCSc1nccnc1CN1CCCCC1CN
InChIInChI=1S/C12H20N4S/c1-17-12-11(14-5-6-15-12)9-16-7-3-2-4-10(16)8-13/h5-6,10H,2-4,7-9,13H2,1H3
InChIKeyQHZDUTZUMHEPAD-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.51
Rot. Bonds4

About [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine

[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 71643423) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine
PubChem CID71643423
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine
SMILESCSc1nccnc1CN1CCCCC1CN
InChIInChI=1S/C12H20N4S/c1-17-12-11(14-5-6-15-12)9-16-7-3-2-4-10(16)8-13/h5-6,10H,2-4,7-9,13H2,1H3
InChIKeyQHZDUTZUMHEPAD-UHFFFAOYSA-N
XLogP1.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120836903
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
CID 119916298
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 104973692
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
CID 120836978
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine (CID 71643423) is [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine is CSc1nccnc1CN1CCCCC1CN.
What is the InChIKey of [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is QHZDUTZUMHEPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-17-12-11(14-5-6-15-12)9-16-7-3-2-4-10(16)8-13/h5-6,10H,2-4,7-9,13H2,1H3.
What are the key properties of [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine?
[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 252.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 71643423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).