2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

C14H24O2S — CID 79921443

IUPAC2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCCC(C)SCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O2S/c1-3-11(2)17-10-13(15)12-5-8-16-14(9-12)6-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeyXSWMWXUXSNXKKT-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.44
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 79921443) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID79921443
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCCC(C)SCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O2S/c1-3-11(2)17-10-13(15)12-5-8-16-14(9-12)6-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeyXSWMWXUXSNXKKT-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfanyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanone
CID 79921882
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
CID 116608371
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 79921443) is 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is CCC(C)SCC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is XSWMWXUXSNXKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-3-11(2)17-10-13(15)12-5-8-16-14(9-12)6-4-7-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 256.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 79921443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).