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

C15H30N2S — CID 113478249

IUPAC3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1C(C)CCSC
InChIInChI=1S/C15H30N2S/c1-4-14-11-16-9-6-5-7-15(16)12-17(14)13(2)8-10-18-3/h13-15H,4-12H2,1-3H3
InChIKeyDOKQLSJGXUUTEZ-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.08
Rot. Bonds5

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

3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 113478249) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID113478249
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1C(C)CCSC
InChIInChI=1S/C15H30N2S/c1-4-14-11-16-9-6-5-7-15(16)12-17(14)13(2)8-10-18-3/h13-15H,4-12H2,1-3H3
InChIKeyDOKQLSJGXUUTEZ-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylpropan-2-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939722
3-ethyl-2-octan-4-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106027236
3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113486761
3-ethyl-2-(1-methylsulfonylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939120
3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915981
3-ethyl-2-(1-phenylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918313
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylsulfanylbutan-1-amine
CID 79932410
3-ethyl-2-(2-prop-2-ynylsulfanylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106432742
3-methyl-2-octan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926950
N-ethyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79924535
3-ethyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939374
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
CID 113478263

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 113478249) is 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1C(C)CCSC.
What is the InChIKey of 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is DOKQLSJGXUUTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-14-11-16-9-6-5-7-15(16)12-17(14)13(2)8-10-18-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 270.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 113478249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).