3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C8H9NO3S — CID 70495390

IUPAC3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCOC1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO3S/c1-12-8-6-4-2-3-5-7(6)13(10,11)9-8/h2-5,8-9H,1H3
InChIKeyIDSNCZQXBGJGPP-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.62
Rot. Bonds1

About 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 70495390) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID70495390
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCOC1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO3S/c1-12-8-6-4-2-3-5-7(6)13(10,11)9-8/h2-5,8-9H,1H3
InChIKeyIDSNCZQXBGJGPP-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 70495390) is 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is COC1NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is IDSNCZQXBGJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-12-8-6-4-2-3-5-7(6)13(10,11)9-8/h2-5,8-9H,1H3.
What are the key properties of 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 199.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 70495390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).