2-(2-methylpropoxy)thiolane 1,1-dioxide

C8H16O3S — CID 18921416

IUPAC2-(2-methylpropoxy)thiolane 1,1-dioxide
SMILESCC(C)COC1CCCS1(=O)=O
InChIInChI=1S/C8H16O3S/c1-7(2)6-11-8-4-3-5-12(8,9)10/h7-8H,3-6H2,1-2H3
InChIKeyWBIOMCQTXFXUMR-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-methylpropoxy)thiolane 1,1-dioxide

2-(2-methylpropoxy)thiolane 1,1-dioxide (PubChem CID 18921416) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpropoxy)thiolane 1,1-dioxide
PubChem CID18921416
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-(2-methylpropoxy)thiolane 1,1-dioxide
SMILESCC(C)COC1CCCS1(=O)=O
InChIInChI=1S/C8H16O3S/c1-7(2)6-11-8-4-3-5-12(8,9)10/h7-8H,3-6H2,1-2H3
InChIKeyWBIOMCQTXFXUMR-UHFFFAOYSA-N
XLogP1.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)thiolane 1,1-dioxide?
The IUPAC name of 2-(2-methylpropoxy)thiolane 1,1-dioxide (CID 18921416) is 2-(2-methylpropoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpropoxy)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2-methylpropoxy)thiolane 1,1-dioxide is CC(C)COC1CCCS1(=O)=O.
What is the InChIKey of 2-(2-methylpropoxy)thiolane 1,1-dioxide?
The InChIKey is WBIOMCQTXFXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)6-11-8-4-3-5-12(8,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)thiolane 1,1-dioxide?
2-(2-methylpropoxy)thiolane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 18921416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).