3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C10H13NO2S — CID 123366483

IUPAC3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCCC1NS(=O)(=O)c2cc(C)ccc21
InChIInChI=1S/C10H13NO2S/c1-3-9-8-5-4-7(2)6-10(8)14(12,13)11-9/h4-6,9,11H,3H2,1-2H3
InChIKeyXGXHBIAAWCKGJJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.74
Rot. Bonds1

About 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 123366483) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID123366483
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCCC1NS(=O)(=O)c2cc(C)ccc21
InChIInChI=1S/C10H13NO2S/c1-3-9-8-5-4-7(2)6-10(8)14(12,13)11-9/h4-6,9,11H,3H2,1-2H3
InChIKeyXGXHBIAAWCKGJJ-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 123366483) is 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is CCC1NS(=O)(=O)c2cc(C)ccc21.
What is the InChIKey of 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is XGXHBIAAWCKGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-9-8-5-4-7(2)6-10(8)14(12,13)11-9/h4-6,9,11H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 123366483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).