6-methylthiomorpholine-2,5-dione

C5H7NO2S — CID 12923678

IUPAC6-methylthiomorpholine-2,5-dione
SMILESCC1SC(=O)CNC1=O
InChIInChI=1S/C5H7NO2S/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8)
InChIKeySKHMYCKSUJUSEE-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.24
Rot. Bonds

About 6-methylthiomorpholine-2,5-dione

6-methylthiomorpholine-2,5-dione (PubChem CID 12923678) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 6-methylthiomorpholine-2,5-dione.

Molecular Properties

Compound Name6-methylthiomorpholine-2,5-dione
PubChem CID12923678
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name6-methylthiomorpholine-2,5-dione
SMILESCC1SC(=O)CNC1=O
InChIInChI=1S/C5H7NO2S/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8)
InChIKeySKHMYCKSUJUSEE-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 6-methylthiomorpholine-2,5-dione 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 6-methylthiomorpholine-2,5-dione?
The IUPAC name of 6-methylthiomorpholine-2,5-dione (CID 12923678) is 6-methylthiomorpholine-2,5-dione.
What is the SMILES notation for 6-methylthiomorpholine-2,5-dione?
The canonical SMILES for 6-methylthiomorpholine-2,5-dione is CC1SC(=O)CNC1=O.
What is the InChIKey of 6-methylthiomorpholine-2,5-dione?
The InChIKey is SKHMYCKSUJUSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8).
What are the key properties of 6-methylthiomorpholine-2,5-dione?
6-methylthiomorpholine-2,5-dione has a molecular weight of 145.18 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylthiomorpholine-2,5-dione is sourced from PubChem (CID 12923678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).