2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C11H15NO2S — CID 84624940

IUPAC2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc2c(cc1C)S(=O)(=O)C(C)CN2
InChIInChI=1S/C11H15NO2S/c1-7-4-10-11(5-8(7)2)15(13,14)9(3)6-12-10/h4-5,9,12H,6H2,1-3H3
InChIKeyQDWKMTCKAAQSBC-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.89
Rot. Bonds

About 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84624940) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84624940
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc2c(cc1C)S(=O)(=O)C(C)CN2
InChIInChI=1S/C11H15NO2S/c1-7-4-10-11(5-8(7)2)15(13,14)9(3)6-12-10/h4-5,9,12H,6H2,1-3H3
InChIKeyQDWKMTCKAAQSBC-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84629443
3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84624941
2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84635233
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide
CID 44725832
2-methyl-2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide
CID 83835045
6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84624012
5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84634998
6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 58879454
6-bromo-2-tert-butyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84645688
8-bromo-7-fluoro-3-methyl-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine 1,1-dioxide
CID 105357403
7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one
CID 19804193

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84624940) is 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is Cc1cc2c(cc1C)S(=O)(=O)C(C)CN2.
What is the InChIKey of 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is QDWKMTCKAAQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-4-10-11(5-8(7)2)15(13,14)9(3)6-12-10/h4-5,9,12H,6H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 225.31 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84624940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).