2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide

C16H28N4O4S — CID 70742347

IUPAC2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCN2CCCC2=O)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H28N4O4S/c1-17(2)16(22)10-20-9-7-18(6-8-19-5-3-4-15(19)21)13-11-25(23,24)12-14(13)20/h13-14H,3-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyJJTHLEDGOBBOPV-UONOGXRCSA-N
MW372.49 g/mol
LogP-1.52
Rot. Bonds5

About 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide

2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide (PubChem CID 70742347) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide
PubChem CID70742347
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC Name2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCN2CCCC2=O)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H28N4O4S/c1-17(2)16(22)10-20-9-7-18(6-8-19-5-3-4-15(19)21)13-11-25(23,24)12-14(13)20/h13-14H,3-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyJJTHLEDGOBBOPV-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 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide (CID 70742347) is 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CCN2CCCC2=O)[C@H]2CS(=O)(=O)C[C@H]21.
What is the InChIKey of 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide?
The InChIKey is JJTHLEDGOBBOPV-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-17(2)16(22)10-20-9-7-18(6-8-19-5-3-4-15(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 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide?
2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide 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 2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 70742347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).