2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H26N2S — CID 79926702

IUPAC2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCSCCN1CC2CCCCN2CC1c1ccccc1
InChIInChI=1S/C17H26N2S/c1-20-12-11-19-13-16-9-5-6-10-18(16)14-17(19)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyDAWRLSZMCNJERR-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79926702) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79926702
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCSCCN1CC2CCCCN2CC1c1ccccc1
InChIInChI=1S/C17H26N2S/c1-20-12-11-19-13-16-9-5-6-10-18(16)14-17(19)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyDAWRLSZMCNJERR-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939604
2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916856
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923019
5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine
CID 64939151
2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923270
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
1-methyl-2-phenylazepane
CID 23447707
[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
CID 81314851
2-(2-methylsulfanylethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 112733964
1-ethyl-2-phenylazepane
CID 59678181

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79926702) is 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CSCCN1CC2CCCCN2CC1c1ccccc1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is DAWRLSZMCNJERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-20-12-11-19-13-16-9-5-6-10-18(16)14-17(19)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 290.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79926702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).