3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide

C10H18OS — CID 171950992

IUPAC3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide
SMILESCCC1CC2CCCC(C1)S2=O
InChIInChI=1S/C10H18OS/c1-2-8-6-9-4-3-5-10(7-8)12(9)11/h8-10H,2-7H2,1H3
InChIKeyIKUFWGNMHHLQQX-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.48
Rot. Bonds1

About 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide

3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide (PubChem CID 171950992) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide.

Molecular Properties

Compound Name3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide
PubChem CID171950992
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide
SMILESCCC1CC2CCCC(C1)S2=O
InChIInChI=1S/C10H18OS/c1-2-8-6-9-4-3-5-10(7-8)12(9)11/h8-10H,2-7H2,1H3
InChIKeyIKUFWGNMHHLQQX-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanethiol
CID 171937331
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanesulfonyl chloride
CID 171937345
1-(2-cyclobutylethyl)-3-ethylcyclobutane
CID 123886657
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine
CID 171937266
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)octan-1-one
CID 171950099
3-ethyl-9-iodobicyclo[3.3.1]nonane
CID 134444057
3-methoxy-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 171938202
4-methyl-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)pent-3-en-1-one
CID 171938636
3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
CID 126703648
ethylcyclobutane;methanamine
CID 175532329
cyclopropane;ethylcyclobutane;propane
CID 142456817

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide?
The IUPAC name of 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide (CID 171950992) is 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide.
What is the SMILES notation for 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide?
The canonical SMILES for 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide is CCC1CC2CCCC(C1)S2=O.
What is the InChIKey of 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide?
The InChIKey is IKUFWGNMHHLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-8-6-9-4-3-5-10(7-8)12(9)11/h8-10H,2-7H2,1H3.
What are the key properties of 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide?
3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide has a molecular weight of 186.32 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9λ4-thiabicyclo[3.3.1]nonane 9-oxide is sourced from PubChem (CID 171950992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).