N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine

C15H19N3S — CID 66066987

IUPACN-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
SMILESCCNC(CSc1ccc(C)cc1)c1cnccn1
InChIInChI=1S/C15H19N3S/c1-3-17-15(14-10-16-8-9-18-14)11-19-13-6-4-12(2)5-7-13/h4-10,15,17H,3,11H2,1-2H3
InChIKeyHWFDTZFERKBURG-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine

N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine (PubChem CID 66066987) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
PubChem CID66066987
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
SMILESCCNC(CSc1ccc(C)cc1)c1cnccn1
InChIInChI=1S/C15H19N3S/c1-3-17-15(14-10-16-8-9-18-14)11-19-13-6-4-12(2)5-7-13/h4-10,15,17H,3,11H2,1-2H3
InChIKeyHWFDTZFERKBURG-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066583
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66065811
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 114656151
N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
CID 66053069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine (CID 66066987) is N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine is CCNC(CSc1ccc(C)cc1)c1cnccn1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
The InChIKey is HWFDTZFERKBURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-17-15(14-10-16-8-9-18-14)11-19-13-6-4-12(2)5-7-13/h4-10,15,17H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine?
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 66066987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).