6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide

C5H8O3S — CID 118609071

IUPAC6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide
SMILESO=S1(=O)CCC12COC2
InChIInChI=1S/C5H8O3S/c6-9(7)2-1-5(9)3-8-4-5/h1-4H2
InChIKeyCLODDYCRMHFFIT-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.43
Rot. Bonds

About 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide

6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide (PubChem CID 118609071) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide.

Molecular Properties

Compound Name6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide
PubChem CID118609071
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide
SMILESO=S1(=O)CCC12COC2
InChIInChI=1S/C5H8O3S/c6-9(7)2-1-5(9)3-8-4-5/h1-4H2
InChIKeyCLODDYCRMHFFIT-UHFFFAOYSA-N
XLogP-0.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide?
The IUPAC name of 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide (CID 118609071) is 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide.
What is the SMILES notation for 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide?
The canonical SMILES for 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide is O=S1(=O)CCC12COC2.
What is the InChIKey of 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide?
The InChIKey is CLODDYCRMHFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-9(7)2-1-5(9)3-8-4-5/h1-4H2.
What are the key properties of 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide?
6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide has a molecular weight of 148.18 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-1λ6-thiaspiro[3.3]heptane 1,1-dioxide is sourced from PubChem (CID 118609071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).