5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine

C11H15NOS — CID 84621295

IUPAC5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1N(C)CCS2
InChIInChI=1S/C11H15NOS/c1-8-4-5-9(13-3)10-11(8)14-7-6-12(10)2/h4-5H,6-7H2,1-3H3
InChIKeyPYOMXIPIFIUTJA-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.55
Rot. Bonds1

About 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine

5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84621295) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84621295
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1N(C)CCS2
InChIInChI=1S/C11H15NOS/c1-8-4-5-9(13-3)10-11(8)14-7-6-12(10)2/h4-5H,6-7H2,1-3H3
InChIKeyPYOMXIPIFIUTJA-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84640231
5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619364
2-(5,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84634308
5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazine-2-carbonitrile
CID 84633219
8-methoxy-3,4-dihydro-2H-thiochromen-5-ol
CID 154301881
1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
CID 84640236
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
(7-methoxy-1,4-dimethyl-2,3-dihydroindol-2-yl)methanamine
CID 83860766
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,8-dimethoxy-[1,3]dithiolo[4,5-b][1,4]benzodithiine
CID 10672794
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 84624461
8-methoxy-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 23008911

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine (CID 84621295) is 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine is COc1ccc(C)c2c1N(C)CCS2.
What is the InChIKey of 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is PYOMXIPIFIUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-4-5-9(13-3)10-11(8)14-7-6-12(10)2/h4-5H,6-7H2,1-3H3.
What are the key properties of 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine?
5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 209.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84621295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).