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

C12H17NOS — CID 84624461

IUPAC5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1NCC(C)(C)S2
InChIInChI=1S/C12H17NOS/c1-8-5-6-9(14-4)10-11(8)15-12(2,3)7-13-10/h5-6,13H,7H2,1-4H3
InChIKeyZRTHBMZQKVPRLX-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.30
Rot. Bonds1

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

5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine (PubChem CID 84624461) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
PubChem CID84624461
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1NCC(C)(C)S2
InChIInChI=1S/C12H17NOS/c1-8-5-6-9(14-4)10-11(8)15-12(2,3)7-13-10/h5-6,13H,7H2,1-4H3
InChIKeyZRTHBMZQKVPRLX-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine with MolForge

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Related Compounds

5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619364
2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84634448
7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole
CID 81222524
2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84641314
7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701883
6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
CID 115099780
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622575
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621295

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine?
The IUPAC name of 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine (CID 84624461) is 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine.
What is the SMILES notation for 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine?
The canonical SMILES for 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine is COc1ccc(C)c2c1NCC(C)(C)S2.
What is the InChIKey of 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine?
The InChIKey is ZRTHBMZQKVPRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-5-6-9(14-4)10-11(8)15-12(2,3)7-13-10/h5-6,13H,7H2,1-4H3.
What are the key properties of 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine?
5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine has a molecular weight of 223.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84624461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).