[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C16H24N2O6S — CID 70777274

IUPAC[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccc(COC)o2)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H24N2O6S/c1-22-8-7-17-5-6-18(14-11-25(20,21)10-13(14)17)16(19)15-4-3-12(24-15)9-23-2/h3-4,13-14H,5-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyCBJHAYNYFCEUKE-KGLIPLIRSA-N
MW372.44 g/mol
LogP-0.00
Rot. Bonds6

About [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 70777274) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID70777274
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccc(COC)o2)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H24N2O6S/c1-22-8-7-17-5-6-18(14-11-25(20,21)10-13(14)17)16(19)15-4-3-12(24-15)9-23-2/h3-4,13-14H,5-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyCBJHAYNYFCEUKE-KGLIPLIRSA-N
XLogP-0.00
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 70777274) is [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCCN1CCN(C(=O)c2ccc(COC)o2)[C@H]2CS(=O)(=O)C[C@H]21.
What is the InChIKey of [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is CBJHAYNYFCEUKE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-22-8-7-17-5-6-18(14-11-25(20,21)10-13(14)17)16(19)15-4-3-12(24-15)9-23-2/h3-4,13-14H,5-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 372.44 g/mol, XLogP of -0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 70777274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).