8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide

C7H12O2S — CID 118609064

IUPAC8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide
SMILESO=S1CC2(CCCOC2)C1
InChIInChI=1S/C7H12O2S/c8-10-5-7(6-10)2-1-3-9-4-7/h1-6H2
InChIKeyRADKNSBXTIRELN-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.55
Rot. Bonds

About 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide

8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide (PubChem CID 118609064) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide.

Molecular Properties

Compound Name8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide
PubChem CID118609064
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide
SMILESO=S1CC2(CCCOC2)C1
InChIInChI=1S/C7H12O2S/c8-10-5-7(6-10)2-1-3-9-4-7/h1-6H2
InChIKeyRADKNSBXTIRELN-UHFFFAOYSA-N
XLogP0.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide?
The IUPAC name of 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide (CID 118609064) is 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide.
What is the SMILES notation for 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide?
The canonical SMILES for 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide is O=S1CC2(CCCOC2)C1.
What is the InChIKey of 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide?
The InChIKey is RADKNSBXTIRELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c8-10-5-7(6-10)2-1-3-9-4-7/h1-6H2.
What are the key properties of 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide?
8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide has a molecular weight of 160.24 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide is sourced from PubChem (CID 118609064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).