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

C11H15NO2S — CID 84624941

IUPAC3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc2c(cc1C)S(=O)(=O)CC(C)N2
InChIInChI=1S/C11H15NO2S/c1-7-4-10-11(5-8(7)2)15(13,14)6-9(3)12-10/h4-5,9,12H,6H2,1-3H3
InChIKeyVSCHRZUHGUQMGX-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.89
Rot. Bonds

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

3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84624941) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84624941
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc2c(cc1C)S(=O)(=O)CC(C)N2
InChIInChI=1S/C11H15NO2S/c1-7-4-10-11(5-8(7)2)15(13,14)6-9(3)12-10/h4-5,9,12H,6H2,1-3H3
InChIKeyVSCHRZUHGUQMGX-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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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84624941) is 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is Cc1cc2c(cc1C)S(=O)(=O)CC(C)N2.
What is the InChIKey of 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is VSCHRZUHGUQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-4-10-11(5-8(7)2)15(13,14)6-9(3)12-10/h4-5,9,12H,6H2,1-3H3.
What are the key properties of 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
3,6,7-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 3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84624941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).