ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide

C7H14O2S — CID 177000947

IUPACethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
SMILESCC.O=S1CC2(COC2)C1
InChIInChI=1S/C5H8O2S.C2H6/c6-8-3-5(4-8)1-7-2-5;1-2/h1-4H2;1-2H3
InChIKeyDCOMVYXMXBKOSX-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.79
Rot. Bonds

About ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide

ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide (PubChem CID 177000947) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide.

Molecular Properties

Compound Nameethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
PubChem CID177000947
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Nameethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
SMILESCC.O=S1CC2(COC2)C1
InChIInChI=1S/C5H8O2S.C2H6/c6-8-3-5(4-8)1-7-2-5;1-2/h1-4H2;1-2H3
InChIKeyDCOMVYXMXBKOSX-UHFFFAOYSA-N
XLogP0.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide 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 ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
The IUPAC name of ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide (CID 177000947) is ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide.
What is the SMILES notation for ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
The canonical SMILES for ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide is CC.O=S1CC2(COC2)C1.
What is the InChIKey of ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
The InChIKey is DCOMVYXMXBKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S.C2H6/c6-8-3-5(4-8)1-7-2-5;1-2/h1-4H2;1-2H3.
What are the key properties of ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide has a molecular weight of 162.25 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide is sourced from PubChem (CID 177000947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).