3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide

C10H19NOS — CID 66231469

IUPAC3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
SMILESCCC1CS(=O)C2CCCCC2N1
InChIInChI=1S/C10H19NOS/c1-2-8-7-13(12)10-6-4-3-5-9(10)11-8/h8-11H,2-7H2,1H3
InChIKeyBOZYNAGWUUJGFA-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.43
Rot. Bonds1

About 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide

3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide (PubChem CID 66231469) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide.

Molecular Properties

Compound Name3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
PubChem CID66231469
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
SMILESCCC1CS(=O)C2CCCCC2N1
InChIInChI=1S/C10H19NOS/c1-2-8-7-13(12)10-6-4-3-5-9(10)11-8/h8-11H,2-7H2,1H3
InChIKeyBOZYNAGWUUJGFA-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide?
The IUPAC name of 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide (CID 66231469) is 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide.
What is the SMILES notation for 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide?
The canonical SMILES for 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide is CCC1CS(=O)C2CCCCC2N1.
What is the InChIKey of 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide?
The InChIKey is BOZYNAGWUUJGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-8-7-13(12)10-6-4-3-5-9(10)11-8/h8-11H,2-7H2,1H3.
What are the key properties of 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide?
3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide has a molecular weight of 201.33 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide is sourced from PubChem (CID 66231469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).