(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one

C10H16N2OS — CID 767011

IUPAC(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one
SMILESC[C@@H]1S[C@]2(CN3CCC2CC3)NC1=O
InChIInChI=1S/C10H16N2OS/c1-7-9(13)11-10(14-7)6-12-4-2-8(10)3-5-12/h7-8H,2-6H2,1H3,(H,11,13)/t7-,10-/m0/s1
InChIKeyQVYRORZBTAIBNK-XVKPBYJWSA-N
MW212.32 g/mol
LogP0.66
Rot. Bonds

About (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one

(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one (PubChem CID 767011) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one.

Molecular Properties

Compound Name(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one
PubChem CID767011
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one
SMILESC[C@@H]1S[C@]2(CN3CCC2CC3)NC1=O
InChIInChI=1S/C10H16N2OS/c1-7-9(13)11-10(14-7)6-12-4-2-8(10)3-5-12/h7-8H,2-6H2,1H3,(H,11,13)/t7-,10-/m0/s1
InChIKeyQVYRORZBTAIBNK-XVKPBYJWSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one 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 (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one?
The IUPAC name of (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one (CID 767011) is (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one.
What is the SMILES notation for (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one?
The canonical SMILES for (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one is C[C@@H]1S[C@]2(CN3CCC2CC3)NC1=O.
What is the InChIKey of (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one?
The InChIKey is QVYRORZBTAIBNK-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-9(13)11-10(14-7)6-12-4-2-8(10)3-5-12/h7-8H,2-6H2,1H3,(H,11,13)/t7-,10-/m0/s1.
What are the key properties of (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one?
(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one has a molecular weight of 212.32 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one is sourced from PubChem (CID 767011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).