6-thia-10-azaspiro[4.5]decane-9-carboxylic acid

C9H15NO2S — CID 80500015

IUPAC6-thia-10-azaspiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)C1CCSC2(CCCC2)N1
InChIInChI=1S/C9H15NO2S/c11-8(12)7-3-6-13-9(10-7)4-1-2-5-9/h7,10H,1-6H2,(H,11,12)
InChIKeyRTHURGREXPVKKC-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.44
Rot. Bonds1

About 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid

6-thia-10-azaspiro[4.5]decane-9-carboxylic acid (PubChem CID 80500015) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name6-thia-10-azaspiro[4.5]decane-9-carboxylic acid
PubChem CID80500015
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name6-thia-10-azaspiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)C1CCSC2(CCCC2)N1
InChIInChI=1S/C9H15NO2S/c11-8(12)7-3-6-13-9(10-7)4-1-2-5-9/h7,10H,1-6H2,(H,11,12)
InChIKeyRTHURGREXPVKKC-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid (CID 80500015) is 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid is O=C(O)C1CCSC2(CCCC2)N1.
What is the InChIKey of 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is RTHURGREXPVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-8(12)7-3-6-13-9(10-7)4-1-2-5-9/h7,10H,1-6H2,(H,11,12).
What are the key properties of 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid?
6-thia-10-azaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 201.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thia-10-azaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 80500015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).