3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide

C13H19NO3S — CID 82305632

IUPAC3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(C2CS(=O)(=O)CCN2)c(C)c1C
InChIInChI=1S/C13H19NO3S/c1-9-10(2)13(17-3)5-4-11(9)12-8-18(15,16)7-6-14-12/h4-5,12,14H,6-8H2,1-3H3
InChIKeyWIACRRMAWIYLBU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.37
Rot. Bonds2

About 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide

3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 82305632) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID82305632
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(C2CS(=O)(=O)CCN2)c(C)c1C
InChIInChI=1S/C13H19NO3S/c1-9-10(2)13(17-3)5-4-11(9)12-8-18(15,16)7-6-14-12/h4-5,12,14H,6-8H2,1-3H3
InChIKeyWIACRRMAWIYLBU-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide (CID 82305632) is 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide is COc1ccc(C2CS(=O)(=O)CCN2)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WIACRRMAWIYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-10(2)13(17-3)5-4-11(9)12-8-18(15,16)7-6-14-12/h4-5,12,14H,6-8H2,1-3H3.
What are the key properties of 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide?
3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3-dimethylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82305632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).