8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

C10H17NO2S — CID 2985006

IUPAC8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC1CCC2(CC1)NC(C(=O)O)CS2
InChIInChI=1S/C10H17NO2S/c1-7-2-4-10(5-3-7)11-8(6-14-10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyOSGSVPRXIZFUFN-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.68
Rot. Bonds1

About 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 2985006) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID2985006
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC1CCC2(CC1)NC(C(=O)O)CS2
InChIInChI=1S/C10H17NO2S/c1-7-2-4-10(5-3-7)11-8(6-14-10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyOSGSVPRXIZFUFN-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (CID 2985006) is 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is CC1CCC2(CC1)NC(C(=O)O)CS2.
What is the InChIKey of 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is OSGSVPRXIZFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7-2-4-10(5-3-7)11-8(6-14-10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 215.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 2985006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).