(4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

C14H23N5O5S — CID 72886385

IUPAC(4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCOCc1noc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1
InChIInChI=1S/C14H23N5O5S/c1-17(2)14(20)19-5-4-18(10-8-25(21,22)9-11(10)19)6-13-15-12(7-23-3)16-24-13/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyYPTQNZZLCNZVBQ-WDEREUQCSA-N
MW373.44 g/mol
LogP-0.82
Rot. Bonds4

About (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

(4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (PubChem CID 72886385) has the molecular formula C14H23N5O5S and a molecular weight of 373.44 g/mol. Its IUPAC name is (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
PubChem CID72886385
Molecular FormulaC14H23N5O5S
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC Name(4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCOCc1noc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1
InChIInChI=1S/C14H23N5O5S/c1-17(2)14(20)19-5-4-18(10-8-25(21,22)9-11(10)19)6-13-15-12(7-23-3)16-24-13/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyYPTQNZZLCNZVBQ-WDEREUQCSA-N
XLogP-0.82
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The IUPAC name of (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (CID 72886385) is (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.
What is the SMILES notation for (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The canonical SMILES for (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is COCc1noc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1.
What is the InChIKey of (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The InChIKey is YPTQNZZLCNZVBQ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23N5O5S/c1-17(2)14(20)19-5-4-18(10-8-25(21,22)9-11(10)19)6-13-15-12(7-23-3)16-24-13/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
(4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide has a molecular weight of 373.44 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is sourced from PubChem (CID 72886385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).