(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine

C20H24N2S — CID 156507348

IUPAC(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine
SMILESc1ccc(CN2CCN(Cc3ccccc3)[C@H]3CSC[C@H]32)cc1
InChIInChI=1S/C20H24N2S/c1-3-7-17(8-4-1)13-21-11-12-22(20-16-23-15-19(20)21)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+
InChIKeyXBRCDWIYVKRGPE-BGYRXZFFSA-N
MW324.49 g/mol
LogP3.49
Rot. Bonds4

About (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine

(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine (PubChem CID 156507348) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine.

Molecular Properties

Compound Name(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine
PubChem CID156507348
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine
SMILESc1ccc(CN2CCN(Cc3ccccc3)[C@H]3CSC[C@H]32)cc1
InChIInChI=1S/C20H24N2S/c1-3-7-17(8-4-1)13-21-11-12-22(20-16-23-15-19(20)21)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+
InChIKeyXBRCDWIYVKRGPE-BGYRXZFFSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine?
The IUPAC name of (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine (CID 156507348) is (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine.
What is the SMILES notation for (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine?
The canonical SMILES for (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine is c1ccc(CN2CCN(Cc3ccccc3)[C@H]3CSC[C@H]32)cc1.
What is the InChIKey of (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine?
The InChIKey is XBRCDWIYVKRGPE-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H24N2S/c1-3-7-17(8-4-1)13-21-11-12-22(20-16-23-15-19(20)21)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+.
What are the key properties of (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine?
(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine has a molecular weight of 324.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine is sourced from PubChem (CID 156507348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).