1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one

C16H28N4O4S — CID 70735281

IUPAC1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCN(C)CC(=O)N1CCN(CCN2CCCC2=O)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H28N4O4S/c1-17(2)10-16(22)20-9-8-18(6-7-19-5-3-4-15(19)21)13-11-25(23,24)12-14(13)20/h13-14H,3-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyLERJWWKXAGZKGQ-UONOGXRCSA-N
MW372.49 g/mol
LogP-1.52
Rot. Bonds5

About 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 70735281) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID70735281
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC Name1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCN(C)CC(=O)N1CCN(CCN2CCCC2=O)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H28N4O4S/c1-17(2)10-16(22)20-9-8-18(6-7-19-5-3-4-15(19)21)13-11-25(23,24)12-14(13)20/h13-14H,3-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyLERJWWKXAGZKGQ-UONOGXRCSA-N
XLogP-1.52
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one (CID 70735281) is 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one is CN(C)CC(=O)N1CCN(CCN2CCCC2=O)[C@H]2CS(=O)(=O)C[C@H]21.
What is the InChIKey of 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LERJWWKXAGZKGQ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-17(2)10-16(22)20-9-8-18(6-7-19-5-3-4-15(19)21)13-11-25(23,24)12-14(13)20/h13-14H,3-12H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 372.49 g/mol, XLogP of -1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aS,7aR)-4-[2-(dimethylamino)acetyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).