6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide

C13H17NO2S — CID 79368004

IUPAC6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide
SMILESCOc1ccc2c(c1)C1NCC(C)S(=O)C1C2
InChIInChI=1S/C13H17NO2S/c1-8-7-14-13-11-6-10(16-2)4-3-9(11)5-12(13)17(8)15/h3-4,6,8,12-14H,5,7H2,1-2H3
InChIKeyJJGQYAZBVABYAS-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.40
Rot. Bonds1

About 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide

6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide (PubChem CID 79368004) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide.

Molecular Properties

Compound Name6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide
PubChem CID79368004
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide
SMILESCOc1ccc2c(c1)C1NCC(C)S(=O)C1C2
InChIInChI=1S/C13H17NO2S/c1-8-7-14-13-11-6-10(16-2)4-3-9(11)5-12(13)17(8)15/h3-4,6,8,12-14H,5,7H2,1-2H3
InChIKeyJJGQYAZBVABYAS-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide?
The IUPAC name of 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide (CID 79368004) is 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide.
What is the SMILES notation for 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide?
The canonical SMILES for 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide is COc1ccc2c(c1)C1NCC(C)S(=O)C1C2.
What is the InChIKey of 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide?
The InChIKey is JJGQYAZBVABYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-8-7-14-13-11-6-10(16-2)4-3-9(11)5-12(13)17(8)15/h3-4,6,8,12-14H,5,7H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide?
6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide has a molecular weight of 251.35 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide is sourced from PubChem (CID 79368004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).