1-ethyl-2-methoxyphenoxathiine 10,10-dioxide

C15H14O4S — CID 10755923

IUPAC1-ethyl-2-methoxyphenoxathiine 10,10-dioxide
SMILESCCc1c(OC)ccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H14O4S/c1-3-10-11(18-2)8-9-13-15(10)20(16,17)14-7-5-4-6-12(14)19-13/h4-9H,3H2,1-2H3
InChIKeyNIDOWQASNDXJHQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.20
Rot. Bonds2

About 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide

1-ethyl-2-methoxyphenoxathiine 10,10-dioxide (PubChem CID 10755923) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-ethyl-2-methoxyphenoxathiine 10,10-dioxide
PubChem CID10755923
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name1-ethyl-2-methoxyphenoxathiine 10,10-dioxide
SMILESCCc1c(OC)ccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H14O4S/c1-3-10-11(18-2)8-9-13-15(10)20(16,17)14-7-5-4-6-12(14)19-13/h4-9H,3H2,1-2H3
InChIKeyNIDOWQASNDXJHQ-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide?
The IUPAC name of 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide (CID 10755923) is 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide?
The canonical SMILES for 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide is CCc1c(OC)ccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide?
The InChIKey is NIDOWQASNDXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-3-10-11(18-2)8-9-13-15(10)20(16,17)14-7-5-4-6-12(14)19-13/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide?
1-ethyl-2-methoxyphenoxathiine 10,10-dioxide has a molecular weight of 290.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methoxyphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10755923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).