5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one

C12H21N3OS — CID 114173990

IUPAC5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1NC2(CC2)C(=O)N1CCN1CCSCC1
InChIInChI=1S/C12H21N3OS/c1-10-13-12(2-3-12)11(16)15(10)5-4-14-6-8-17-9-7-14/h10,13H,2-9H2,1H3
InChIKeyNERKQLSPLKWZGP-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.35
Rot. Bonds3

About 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one

5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 114173990) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID114173990
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1NC2(CC2)C(=O)N1CCN1CCSCC1
InChIInChI=1S/C12H21N3OS/c1-10-13-12(2-3-12)11(16)15(10)5-4-14-6-8-17-9-7-14/h10,13H,2-9H2,1H3
InChIKeyNERKQLSPLKWZGP-UHFFFAOYSA-N
XLogP0.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-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 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 114173990) is 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1NC2(CC2)C(=O)N1CCN1CCSCC1.
What is the InChIKey of 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is NERKQLSPLKWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-13-12(2-3-12)11(16)15(10)5-4-14-6-8-17-9-7-14/h10,13H,2-9H2,1H3.
What are the key properties of 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 255.39 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 114173990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).