3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide

C13H16N2O3S — CID 2915593

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide
SMILESCC1CN(C2=NS(=O)(=O)c3ccccc32)CC(C)O1
InChIInChI=1S/C13H16N2O3S/c1-9-7-15(8-10(2)18-9)13-11-5-3-4-6-12(11)19(16,17)14-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMGBMWLCECWIBOG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds

About 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide

3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide (PubChem CID 2915593) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide
PubChem CID2915593
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide
SMILESCC1CN(C2=NS(=O)(=O)c3ccccc32)CC(C)O1
InChIInChI=1S/C13H16N2O3S/c1-9-7-15(8-10(2)18-9)13-11-5-3-4-6-12(11)19(16,17)14-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMGBMWLCECWIBOG-UHFFFAOYSA-N
XLogP1.24
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide (CID 2915593) is 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide is CC1CN(C2=NS(=O)(=O)c3ccccc32)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is MGBMWLCECWIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9-7-15(8-10(2)18-9)13-11-5-3-4-6-12(11)19(16,17)14-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide?
3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 2915593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).