2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

C6H10O3S — CID 118609077

IUPAC2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESO=S1(=O)CCC2(COC2)C1
InChIInChI=1S/C6H10O3S/c7-10(8)2-1-6(5-10)3-9-4-6/h1-5H2
InChIKeyBGSFAPIBCNTOLL-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.18
Rot. Bonds

About 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (PubChem CID 118609077) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.

Molecular Properties

Compound Name2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
PubChem CID118609077
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESO=S1(=O)CCC2(COC2)C1
InChIInChI=1S/C6H10O3S/c7-10(8)2-1-6(5-10)3-9-4-6/h1-5H2
InChIKeyBGSFAPIBCNTOLL-UHFFFAOYSA-N
XLogP-0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The IUPAC name of 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (CID 118609077) is 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.
What is the SMILES notation for 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The canonical SMILES for 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is O=S1(=O)CCC2(COC2)C1.
What is the InChIKey of 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The InChIKey is BGSFAPIBCNTOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-10(8)2-1-6(5-10)3-9-4-6/h1-5H2.
What are the key properties of 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide has a molecular weight of 162.21 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is sourced from PubChem (CID 118609077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).