2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid

C15H24O3S — CID 65140067

IUPAC2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(SC2CCCCC2)CC2(CCOCC2)C1
InChIInChI=1S/C15H24O3S/c16-13(17)15(19-12-4-2-1-3-5-12)10-14(11-15)6-8-18-9-7-14/h12H,1-11H2,(H,16,17)
InChIKeyASISFBOCJDLKOM-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid

2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 65140067) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID65140067
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(SC2CCCCC2)CC2(CCOCC2)C1
InChIInChI=1S/C15H24O3S/c16-13(17)15(19-12-4-2-1-3-5-12)10-14(11-15)6-8-18-9-7-14/h12H,1-11H2,(H,16,17)
InChIKeyASISFBOCJDLKOM-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid (CID 65140067) is 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid is O=C(O)C1(SC2CCCCC2)CC2(CCOCC2)C1.
What is the InChIKey of 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is ASISFBOCJDLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c16-13(17)15(19-12-4-2-1-3-5-12)10-14(11-15)6-8-18-9-7-14/h12H,1-11H2,(H,16,17).
What are the key properties of 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid?
2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 284.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 65140067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).