4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine

C15H29N3S — CID 103857691

IUPAC4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine
SMILESCCC1CN2CCCC2CN1CCN1CCSCC1
InChIInChI=1S/C15H29N3S/c1-2-14-12-17-5-3-4-15(17)13-18(14)7-6-16-8-10-19-11-9-16/h14-15H,2-13H2,1H3
InChIKeyOYPNFBKGQXWMTF-UHFFFAOYSA-N
MW283.48 g/mol
LogP1.59
Rot. Bonds4

About 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine

4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine (PubChem CID 103857691) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine
PubChem CID103857691
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine
SMILESCCC1CN2CCCC2CN1CCN1CCSCC1
InChIInChI=1S/C15H29N3S/c1-2-14-12-17-5-3-4-15(17)13-18(14)7-6-16-8-10-19-11-9-16/h14-15H,2-13H2,1H3
InChIKeyOYPNFBKGQXWMTF-UHFFFAOYSA-N
XLogP1.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[2-(oxolan-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940149
3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939774
3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79308881
3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79309851
3-ethyl-2-[2-(furan-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940138
3-ethyl-2-(2-prop-2-ynylsulfanylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106432742
3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104576466
2-[2-(cyclopenten-1-yl)ethyl]-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106172775
3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79310129
3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923995
3-ethyl-2-[2-(furan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926089
2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
CID 115824890

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine (CID 103857691) is 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine is CCC1CN2CCCC2CN1CCN1CCSCC1.
What is the InChIKey of 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine?
The InChIKey is OYPNFBKGQXWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-2-14-12-17-5-3-4-15(17)13-18(14)7-6-16-8-10-19-11-9-16/h14-15H,2-13H2,1H3.
What are the key properties of 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine?
4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine has a molecular weight of 283.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine is sourced from PubChem (CID 103857691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).