N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride

C13H23ClN4S — CID 71643384

IUPACN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
SMILESCSc1nccnc1CN(C)CC1CCCCN1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-17(9-11-5-3-4-6-14-11)10-12-13(18-2)16-8-7-15-12;/h7-8,11,14H,3-6,9-10H2,1-2H3;1H
InChIKeyFIFBJEDHMWFONC-UHFFFAOYSA-N
MW302.88 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride

N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride (PubChem CID 71643384) has the molecular formula C13H23ClN4S and a molecular weight of 302.88 g/mol. Its IUPAC name is N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
PubChem CID71643384
Molecular FormulaC13H23ClN4S
Molecular Weight302.88 g/mol
Exact Mass302.13
IUPAC NameN-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
SMILESCSc1nccnc1CN(C)CC1CCCCN1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-17(9-11-5-3-4-6-14-11)10-12-13(18-2)16-8-7-15-12;/h7-8,11,14H,3-6,9-10H2,1-2H3;1H
InChIKeyFIFBJEDHMWFONC-UHFFFAOYSA-N
XLogP2.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.88
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643386
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643444
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71643380
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride (CID 71643384) is N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride is CSc1nccnc1CN(C)CC1CCCCN1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride?
The InChIKey is FIFBJEDHMWFONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S.ClH/c1-17(9-11-5-3-4-6-14-11)10-12-13(18-2)16-8-7-15-12;/h7-8,11,14H,3-6,9-10H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride?
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride has a molecular weight of 302.88 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 71643384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).