8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

C11H18N2O2S — CID 3711689

IUPAC8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCSC1CCN2C(=O)C(C)(C)NC(=O)C12
InChIInChI=1S/C11H18N2O2S/c1-4-16-7-5-6-13-8(7)9(14)12-11(2,3)10(13)15/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyZIELFYCJCHJFHF-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.62
Rot. Bonds2

About 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 3711689) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID3711689
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCSC1CCN2C(=O)C(C)(C)NC(=O)C12
InChIInChI=1S/C11H18N2O2S/c1-4-16-7-5-6-13-8(7)9(14)12-11(2,3)10(13)15/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyZIELFYCJCHJFHF-UHFFFAOYSA-N
XLogP0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 3711689) is 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCSC1CCN2C(=O)C(C)(C)NC(=O)C12.
What is the InChIKey of 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is ZIELFYCJCHJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-16-7-5-6-13-8(7)9(14)12-11(2,3)10(13)15/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 242.34 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanyl-3,3-dimethyl-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 3711689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).