3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide

C13H17NO4S — CID 66217458

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C13H17NO4S/c1-9-7-19(15,16)8-11(14-9)10-2-3-12-13(6-10)18-5-4-17-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3
InChIKeyMUZIFOHIJRARBV-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.91
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66217458) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID66217458
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C13H17NO4S/c1-9-7-19(15,16)8-11(14-9)10-2-3-12-13(6-10)18-5-4-17-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3
InChIKeyMUZIFOHIJRARBV-UHFFFAOYSA-N
XLogP0.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66218189
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 82291102
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazepane
CID 66233978
3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66218686
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 66229507
5-methyl-3-(4-methylphenyl)-1,4-thiazepane 1,1-dioxide
CID 66232409
3-(3,4-dimethylphenyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233319
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide (CID 66217458) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CC(c2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MUZIFOHIJRARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-7-19(15,16)8-11(14-9)10-2-3-12-13(6-10)18-5-4-17-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 283.35 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66217458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).