1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone

C9H15NO2S — CID 58849865

IUPAC1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone
SMILESCC(=O)C1CSC2COCC2N1C
InChIInChI=1S/C9H15NO2S/c1-6(11)8-5-13-9-4-12-3-7(9)10(8)2/h7-9H,3-5H2,1-2H3
InChIKeyUNGAOYXHFGWSMU-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.39
Rot. Bonds1

About 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone

1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone (PubChem CID 58849865) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone
PubChem CID58849865
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone
SMILESCC(=O)C1CSC2COCC2N1C
InChIInChI=1S/C9H15NO2S/c1-6(11)8-5-13-9-4-12-3-7(9)10(8)2/h7-9H,3-5H2,1-2H3
InChIKeyUNGAOYXHFGWSMU-UHFFFAOYSA-N
XLogP0.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone (CID 58849865) is 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone is CC(=O)C1CSC2COCC2N1C.
What is the InChIKey of 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone?
The InChIKey is UNGAOYXHFGWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-6(11)8-5-13-9-4-12-3-7(9)10(8)2/h7-9H,3-5H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone?
1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone has a molecular weight of 201.29 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone is sourced from PubChem (CID 58849865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).