4-propan-2-yloxythiane 1,1-dioxide

C8H16O3S — CID 89227576

IUPAC4-propan-2-yloxythiane 1,1-dioxide
SMILESCC(C)OC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16O3S/c1-7(2)11-8-3-5-12(9,10)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyVUPXKXSZJXZDAF-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds2

About 4-propan-2-yloxythiane 1,1-dioxide

4-propan-2-yloxythiane 1,1-dioxide (PubChem CID 89227576) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-propan-2-yloxythiane 1,1-dioxide.

Molecular Properties

Compound Name4-propan-2-yloxythiane 1,1-dioxide
PubChem CID89227576
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name4-propan-2-yloxythiane 1,1-dioxide
SMILESCC(C)OC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16O3S/c1-7(2)11-8-3-5-12(9,10)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyVUPXKXSZJXZDAF-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxythiane 1,1-dioxide?
The IUPAC name of 4-propan-2-yloxythiane 1,1-dioxide (CID 89227576) is 4-propan-2-yloxythiane 1,1-dioxide.
What is the SMILES notation for 4-propan-2-yloxythiane 1,1-dioxide?
The canonical SMILES for 4-propan-2-yloxythiane 1,1-dioxide is CC(C)OC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-propan-2-yloxythiane 1,1-dioxide?
The InChIKey is VUPXKXSZJXZDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)11-8-3-5-12(9,10)6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yloxythiane 1,1-dioxide?
4-propan-2-yloxythiane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxythiane 1,1-dioxide is sourced from PubChem (CID 89227576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).