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

C13H26N2OS — CID 113486761

IUPAC3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1C(C)CS(C)=O
InChIInChI=1S/C13H26N2OS/c1-4-12-8-14-7-5-6-13(14)9-15(12)11(2)10-17(3)16/h11-13H,4-10H2,1-3H3
InChIKeyPEYFTIYZQFFNIP-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.31
Rot. Bonds4

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

3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 113486761) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID113486761
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1C(C)CS(C)=O
InChIInChI=1S/C13H26N2OS/c1-4-12-8-14-7-5-6-13(14)9-15(12)11(2)10-17(3)16/h11-13H,4-10H2,1-3H3
InChIKeyPEYFTIYZQFFNIP-UHFFFAOYSA-N
XLogP1.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.31
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-(1-methylsulfonylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939120
3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 113478249
3-ethyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939374
2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine
CID 113486750
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-octan-4-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106027236
4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79939895
3-ethyl-2-(1-phenylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918313
3-amino-1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 120873014
3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
3-ethyl-2-(2,4,4-trimethylpentan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939699

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 113486761) is 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1C(C)CS(C)=O.
What is the InChIKey of 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PEYFTIYZQFFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-12-8-14-7-5-6-13(14)9-15(12)11(2)10-17(3)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 258.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 113486761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).