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

C11H11NO3S — CID 3814644

IUPAC4-(4-methoxyphenyl)thiomorpholine-3,5-dione
SMILESCOc1ccc(N2C(=O)CSCC2=O)cc1
InChIInChI=1S/C11H11NO3S/c1-15-9-4-2-8(3-5-9)12-10(13)6-16-7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyQCGJCYTYSYJEBC-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.30
Rot. Bonds2

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

4-(4-methoxyphenyl)thiomorpholine-3,5-dione (PubChem CID 3814644) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)thiomorpholine-3,5-dione
PubChem CID3814644
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-(4-methoxyphenyl)thiomorpholine-3,5-dione
SMILESCOc1ccc(N2C(=O)CSCC2=O)cc1
InChIInChI=1S/C11H11NO3S/c1-15-9-4-2-8(3-5-9)12-10(13)6-16-7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyQCGJCYTYSYJEBC-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxyphenyl)Acetamide
CID 5827
N-(4-methoxyphenyl)acrylamide
CID 82197
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
4-(3,5-Dimethoxyphenyl)thiomorpholine-3,5-dione
CID 2732667
3-(p-Ethoxyphenyl)-rhodanine
CID 98711
1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
N-(4-Ethoxyphenyl)maleimide
CID 29407
methacetin-(methoxy-(13)C)
CID 9793926
7-Methoxy-1,4-benzothiazin-3(4H)-one
CID 403666
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 4620189
N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4983381

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(4-methoxyphenyl)thiomorpholine-3,5-dione (CID 3814644) is 4-(4-methoxyphenyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(4-methoxyphenyl)thiomorpholine-3,5-dione is COc1ccc(N2C(=O)CSCC2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)thiomorpholine-3,5-dione?
The InChIKey is QCGJCYTYSYJEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-9-4-2-8(3-5-9)12-10(13)6-16-7-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)thiomorpholine-3,5-dione?
4-(4-methoxyphenyl)thiomorpholine-3,5-dione has a molecular weight of 237.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 3814644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).