4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide

C8H11NO4S — CID 117233297

IUPAC4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cnoc2)CC1
InChIInChI=1S/C8H11NO4S/c10-14(11)3-1-7(2-4-14)13-8-5-9-12-6-8/h5-7H,1-4H2
InChIKeyVAEWZDVRWRMPNH-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.63
Rot. Bonds2

About 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide

4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide (PubChem CID 117233297) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide
PubChem CID117233297
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cnoc2)CC1
InChIInChI=1S/C8H11NO4S/c10-14(11)3-1-7(2-4-14)13-8-5-9-12-6-8/h5-7H,1-4H2
InChIKeyVAEWZDVRWRMPNH-UHFFFAOYSA-N
XLogP0.63
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide?
The IUPAC name of 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide (CID 117233297) is 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide.
What is the SMILES notation for 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide?
The canonical SMILES for 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide is O=S1(=O)CCC(Oc2cnoc2)CC1.
What is the InChIKey of 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide?
The InChIKey is VAEWZDVRWRMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c10-14(11)3-1-7(2-4-14)13-8-5-9-12-6-8/h5-7H,1-4H2.
What are the key properties of 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide?
4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide has a molecular weight of 217.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-yloxy)thiane 1,1-dioxide is sourced from PubChem (CID 117233297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).