4-phenoxythiane 1,1-dioxide

C11H14O3S — CID 141273372

IUPAC4-phenoxythiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2ccccc2)CC1
InChIInChI=1S/C11H14O3S/c12-15(13)8-6-11(7-9-15)14-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyDJUMIVBKXKIQGK-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.64
Rot. Bonds2

About 4-phenoxythiane 1,1-dioxide

4-phenoxythiane 1,1-dioxide (PubChem CID 141273372) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-phenoxythiane 1,1-dioxide.

Molecular Properties

Compound Name4-phenoxythiane 1,1-dioxide
PubChem CID141273372
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name4-phenoxythiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2ccccc2)CC1
InChIInChI=1S/C11H14O3S/c12-15(13)8-6-11(7-9-15)14-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyDJUMIVBKXKIQGK-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide
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1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
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4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 61058416
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CID 125476101
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CID 21116177

Frequently Asked Questions

What is the IUPAC name of 4-phenoxythiane 1,1-dioxide?
The IUPAC name of 4-phenoxythiane 1,1-dioxide (CID 141273372) is 4-phenoxythiane 1,1-dioxide.
What is the SMILES notation for 4-phenoxythiane 1,1-dioxide?
The canonical SMILES for 4-phenoxythiane 1,1-dioxide is O=S1(=O)CCC(Oc2ccccc2)CC1.
What is the InChIKey of 4-phenoxythiane 1,1-dioxide?
The InChIKey is DJUMIVBKXKIQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-15(13)8-6-11(7-9-15)14-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 4-phenoxythiane 1,1-dioxide?
4-phenoxythiane 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxythiane 1,1-dioxide is sourced from PubChem (CID 141273372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).