4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C11H15NO2S — CID 59235677

IUPAC4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1c(C)c(C)c2c(c1C)CNS2(=O)=O
InChIInChI=1S/C11H15NO2S/c1-6-7(2)9(4)11-10(8(6)3)5-12-15(11,13)14/h12H,5H2,1-4H3
InChIKeyDFNPAXQKBIUAIN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.71
Rot. Bonds

About 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 59235677) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID59235677
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCc1c(C)c(C)c2c(c1C)CNS2(=O)=O
InChIInChI=1S/C11H15NO2S/c1-6-7(2)9(4)11-10(8(6)3)5-12-15(11,13)14/h12H,5H2,1-4H3
InChIKeyDFNPAXQKBIUAIN-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide with MolForge

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Related Compounds

5,7-Dimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 12369586
2,3,4,5,6-pentamethyl-N-propylbenzenesulfonamide
CID 8470440
4,6,7-Trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 12369585
5-Propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 20649811
3,4,5,6,7-Pentamethyl-2,3-dihydro-1,2-benzothiazole
CID 21336519
2,3-Dihydrobenzo[g][1,2]benzothiazole 1,1-dioxide
CID 57013284
6-Propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 59191736
4-(Aminomethyl)-2,3,5,6-tetramethylbenzenesulfonic acid
CID 59728701
6-Butan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 70888901
5-Methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 89034572
4-Methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 89335308
3,5,7-Trimethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 118399117

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 59235677) is 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is Cc1c(C)c(C)c2c(c1C)CNS2(=O)=O.
What is the InChIKey of 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is DFNPAXQKBIUAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-6-7(2)9(4)11-10(8(6)3)5-12-15(11,13)14/h12H,5H2,1-4H3.
What are the key properties of 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 225.31 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 59235677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).