1-propan-2-ylphenoxathiine 10,10-dioxide

C15H14O3S — CID 10731045

IUPAC1-propan-2-ylphenoxathiine 10,10-dioxide
SMILESCC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H14O3S/c1-10(2)11-6-5-8-13-15(11)19(16,17)14-9-4-3-7-12(14)18-13/h3-10H,1-2H3
InChIKeyIQSMDRLICYKORQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.75
Rot. Bonds1

About 1-propan-2-ylphenoxathiine 10,10-dioxide

1-propan-2-ylphenoxathiine 10,10-dioxide (PubChem CID 10731045) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-propan-2-ylphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-propan-2-ylphenoxathiine 10,10-dioxide
PubChem CID10731045
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name1-propan-2-ylphenoxathiine 10,10-dioxide
SMILESCC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H14O3S/c1-10(2)11-6-5-8-13-15(11)19(16,17)14-9-4-3-7-12(14)18-13/h3-10H,1-2H3
InChIKeyIQSMDRLICYKORQ-UHFFFAOYSA-N
XLogP3.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylphenoxathiine 10,10-dioxide?
The IUPAC name of 1-propan-2-ylphenoxathiine 10,10-dioxide (CID 10731045) is 1-propan-2-ylphenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-propan-2-ylphenoxathiine 10,10-dioxide?
The canonical SMILES for 1-propan-2-ylphenoxathiine 10,10-dioxide is CC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-propan-2-ylphenoxathiine 10,10-dioxide?
The InChIKey is IQSMDRLICYKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10(2)11-6-5-8-13-15(11)19(16,17)14-9-4-3-7-12(14)18-13/h3-10H,1-2H3.
What are the key properties of 1-propan-2-ylphenoxathiine 10,10-dioxide?
1-propan-2-ylphenoxathiine 10,10-dioxide has a molecular weight of 274.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10731045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).