N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine

C15H19N3OS — CID 64628025

IUPACN-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESCCNC(CSc1cnccn1)c1ccccc1OC
InChIInChI=1S/C15H19N3OS/c1-3-17-13(11-20-15-10-16-8-9-18-15)12-6-4-5-7-14(12)19-2/h4-10,13,17H,3,11H2,1-2H3
InChIKeyAAFBWBVHXGMOGU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.93
Rot. Bonds7

About N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine

N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine (PubChem CID 64628025) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
PubChem CID64628025
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESCCNC(CSc1cnccn1)c1ccccc1OC
InChIInChI=1S/C15H19N3OS/c1-3-17-13(11-20-15-10-16-8-9-18-15)12-6-4-5-7-14(12)19-2/h4-10,13,17H,3,11H2,1-2H3
InChIKeyAAFBWBVHXGMOGU-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626387
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrazin-2-ylsulfanylethanamine
CID 64628226
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64626233
1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
CID 64625820
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-[1-(2-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propan-1-amine
CID 104604633
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine (CID 64628025) is N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine is CCNC(CSc1cnccn1)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine?
The InChIKey is AAFBWBVHXGMOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-17-13(11-20-15-10-16-8-9-18-15)12-6-4-5-7-14(12)19-2/h4-10,13,17H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine?
N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine is sourced from PubChem (CID 64628025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).