3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide

C8H11NO4S — CID 117233301

IUPAC3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(COc2cnoc2)C1
InChIInChI=1S/C8H11NO4S/c10-14(11)2-1-7(6-14)4-12-8-3-9-13-5-8/h3,5,7H,1-2,4,6H2
InChIKeyPDUJPRBRTBDENQ-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.49
Rot. Bonds3

About 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide

3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide (PubChem CID 117233301) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide
PubChem CID117233301
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(COc2cnoc2)C1
InChIInChI=1S/C8H11NO4S/c10-14(11)2-1-7(6-14)4-12-8-3-9-13-5-8/h3,5,7H,1-2,4,6H2
InChIKeyPDUJPRBRTBDENQ-UHFFFAOYSA-N
XLogP0.49
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide (CID 117233301) is 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide is O=S1(=O)CCC(COc2cnoc2)C1.
What is the InChIKey of 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide?
The InChIKey is PDUJPRBRTBDENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c10-14(11)2-1-7(6-14)4-12-8-3-9-13-5-8/h3,5,7H,1-2,4,6H2.
What are the key properties of 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide?
3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide has a molecular weight of 217.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-yloxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 117233301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).