cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone

C15H24O2S — CID 171937713

IUPACcyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(C1CCCCC1)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C15H24O2S/c16-15(11-5-2-1-3-6-11)12-9-13-7-4-8-14(10-12)18(13)17/h11-14H,1-10H2
InChIKeyGUGFBOPZNAUDPI-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.22
Rot. Bonds2

About cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone

cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171937713) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171937713
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Namecyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(C1CCCCC1)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C15H24O2S/c16-15(11-5-2-1-3-6-11)12-9-13-7-4-8-14(10-12)18(13)17/h11-14H,1-10H2
InChIKeyGUGFBOPZNAUDPI-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171937713) is cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(C1CCCCC1)C1CC2CCCC(C1)S2=O.
What is the InChIKey of cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is GUGFBOPZNAUDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c16-15(11-5-2-1-3-6-11)12-9-13-7-4-8-14(10-12)18(13)17/h11-14H,1-10H2.
What are the key properties of cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 268.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171937713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).