4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione

C12H13NO4S — CID 2732667

IUPAC4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CSCC2=O)c1
InChIInChI=1S/C12H13NO4S/c1-16-9-3-8(4-10(5-9)17-2)13-11(14)6-18-7-12(13)15/h3-5H,6-7H2,1-2H3
InChIKeyRCSBMUVJPKFWDB-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.31
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione

4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione (PubChem CID 2732667) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione
PubChem CID2732667
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CSCC2=O)c1
InChIInChI=1S/C12H13NO4S/c1-16-9-3-8(4-10(5-9)17-2)13-11(14)6-18-7-12(13)15/h3-5H,6-7H2,1-2H3
InChIKeyRCSBMUVJPKFWDB-UHFFFAOYSA-N
XLogP1.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethoxyphenyl)propanamide
CID 702220
2-Sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 317086
4-(3,4-Dimethoxyphenyl)thiomorpholine-3,5-dione
CID 2815225
3,4-Bis(2-hydroxyethylsulfanyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 11501285
1-(3,5-Dimethoxyphenyl)-3,4-bis(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 11560069
N-(3,5-Dimethoxy-phenyl)-2-[(3,5-dimethoxy-phenylcarbamoyl)-methylsulfanyl]-acetamide
CID 1447934
1-(3,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dione
CID 2732664
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 9096715
N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376701
N-(2-fluoro-3,5-dimethoxyphenyl)acetamide
CID 86705656
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)acetamide
CID 702039

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione (CID 2732667) is 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione is COc1cc(OC)cc(N2C(=O)CSCC2=O)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione?
The InChIKey is RCSBMUVJPKFWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-16-9-3-8(4-10(5-9)17-2)13-11(14)6-18-7-12(13)15/h3-5H,6-7H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione?
4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione has a molecular weight of 267.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 2732667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).