2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H24N2S — CID 79929608

IUPAC2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1ccc(C(C)N2CCN3CCCCC3C2)s1
InChIInChI=1S/C15H24N2S/c1-12-6-7-15(18-12)13(2)17-10-9-16-8-4-3-5-14(16)11-17/h6-7,13-14H,3-5,8-11H2,1-2H3
InChIKeyMDFGHYYTAPIKPH-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.29
Rot. Bonds2

About 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79929608) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79929608
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1ccc(C(C)N2CCN3CCCCC3C2)s1
InChIInChI=1S/C15H24N2S/c1-12-6-7-15(18-12)13(2)17-10-9-16-8-4-3-5-14(16)11-17/h6-7,13-14H,3-5,8-11H2,1-2H3
InChIKeyMDFGHYYTAPIKPH-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
CID 103895043
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511792
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918302
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-2-amine
CID 79916945
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104830147
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
1-[1-(5-methylthiophen-2-yl)ethyl]-3-propyl-1,4-diazepane
CID 64942657
2-(2-methyl-1-thiophen-2-ylpropyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926162
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanenitrile
CID 79931948

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79929608) is 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cc1ccc(C(C)N2CCN3CCCCC3C2)s1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is MDFGHYYTAPIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12-6-7-15(18-12)13(2)17-10-9-16-8-4-3-5-14(16)11-17/h6-7,13-14H,3-5,8-11H2,1-2H3.
What are the key properties of 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 264.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79929608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).