8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide

C9H16O3S — CID 118609043

IUPAC8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide
SMILESO=S1(=O)CCCCC12CCCOC2
InChIInChI=1S/C9H16O3S/c10-13(11)7-2-1-4-9(13)5-3-6-12-8-9/h1-8H2
InChIKeyHDMJYHXBLUOEIS-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.13
Rot. Bonds

About 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide

8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide (PubChem CID 118609043) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide.

Molecular Properties

Compound Name8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide
PubChem CID118609043
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide
SMILESO=S1(=O)CCCCC12CCCOC2
InChIInChI=1S/C9H16O3S/c10-13(11)7-2-1-4-9(13)5-3-6-12-8-9/h1-8H2
InChIKeyHDMJYHXBLUOEIS-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-dioxaspiro[2.6]nonane
CID 88652146
1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide
CID 118914060
8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide
CID 118609064
2,9-dioxaspiro[4.6]undecane
CID 118210519
7,11-dioxaspiro[5.6]dodecane
CID 122692865
7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
CID 166880650
3,3-dimethyl-oxacyclotetradecane
CID 15424844
(3-methyloxan-3-yl)urea
CID 103895709
1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
CID 154094068
1-oxa-2λ6-thiacycloundecane 2,2-dioxide
CID 140634565
7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
CID 118609045
2-oxa-8-azaspiro[5.5]undecane;hydrochloride
CID 71743839

Frequently Asked Questions

What is the IUPAC name of 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide?
The IUPAC name of 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide (CID 118609043) is 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide.
What is the SMILES notation for 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide?
The canonical SMILES for 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide is O=S1(=O)CCCCC12CCCOC2.
What is the InChIKey of 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide?
The InChIKey is HDMJYHXBLUOEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c10-13(11)7-2-1-4-9(13)5-3-6-12-8-9/h1-8H2.
What are the key properties of 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide?
8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide is sourced from PubChem (CID 118609043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).