8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide

C7H12O2S — CID 177255740

IUPAC8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
SMILESO=S1(=O)C2CCCC1CC2
InChIInChI=1S/C7H12O2S/c8-10(9)6-2-1-3-7(10)5-4-6/h6-7H,1-5H2
InChIKeyKUISSOFALBJOHY-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.12
Rot. Bonds

About 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide

8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide (PubChem CID 177255740) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide.

Molecular Properties

Compound Name8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
PubChem CID177255740
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
SMILESO=S1(=O)C2CCCC1CC2
InChIInChI=1S/C7H12O2S/c8-10(9)6-2-1-3-7(10)5-4-6/h6-7H,1-5H2
InChIKeyKUISSOFALBJOHY-UHFFFAOYSA-N
XLogP1.12
TPSA34.14 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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5S)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-2-ol
CID 99952895
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171951267
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
CID 171951254
(1R,2R,5R)-2-chloro-8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
CID 98163053
3-amino-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonane-3-carbonitrile
CID 171936484
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanamine
CID 126838699
9,9-dioxo-3-[(Z)-prop-1-enyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171953211
3-cyclopropyl-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171953226
(1S,2R,3R,6R)-2,3-dibromo-9λ6-thiabicyclo[4.2.1]nonane 9,9-dioxide
CID 98555363
9,9-dioxo-3-(2,3,4,5,6-pentafluorophenyl)-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171963923
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-3-methylbutan-1-one
CID 171938298
3-dodecyl-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171957537

Frequently Asked Questions

What is the IUPAC name of 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide?
The IUPAC name of 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide (CID 177255740) is 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide.
What is the SMILES notation for 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide?
The canonical SMILES for 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide is O=S1(=O)C2CCCC1CC2.
What is the InChIKey of 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide?
The InChIKey is KUISSOFALBJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c8-10(9)6-2-1-3-7(10)5-4-6/h6-7H,1-5H2.
What are the key properties of 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide?
8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide is sourced from PubChem (CID 177255740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).