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

C11H18O2S — CID 79921956

IUPAC2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCSCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H18O2S/c1-14-8-10(12)9-3-6-13-11(7-9)4-2-5-11/h9H,2-8H2,1H3
InChIKeySDWJTDZYKCJHPP-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.27
Rot. Bonds3

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

2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 79921956) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID79921956
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCSCC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H18O2S/c1-14-8-10(12)9-3-6-13-11(7-9)4-2-5-11/h9H,2-8H2,1H3
InChIKeySDWJTDZYKCJHPP-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921443
2-butan-2-ylsulfanyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanone
CID 79921882
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
2-cyclohexylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 79909160
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
CID 116608371
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694
2-(3-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921263

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 79921956) is 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is CSCC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is SDWJTDZYKCJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-14-8-10(12)9-3-6-13-11(7-9)4-2-5-11/h9H,2-8H2,1H3.
What are the key properties of 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 214.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 79921956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).