(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

C15H19NO2S — CID 1239785

IUPAC(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSC2(CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C15H19NO2S/c17-14(18)13-10-19-15(16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)/t12?,13-,15?/m0/s1
InChIKeyQDANBNHEWQZATI-OWYJLGKBSA-N
MW277.39 g/mol
LogP2.83
Rot. Bonds2

About (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 1239785) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID1239785
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSC2(CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C15H19NO2S/c17-14(18)13-10-19-15(16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)/t12?,13-,15?/m0/s1
InChIKeyQDANBNHEWQZATI-OWYJLGKBSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-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 (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (CID 1239785) is (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@@H]1CSC2(CCC(c3ccccc3)CC2)N1.
What is the InChIKey of (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is QDANBNHEWQZATI-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-14(18)13-10-19-15(16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)/t12?,13-,15?/m0/s1.
What are the key properties of (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 1239785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).