4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione

C11H13NO3S — CID 63788886

IUPAC4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione
SMILESCC(Cc1cccs1)N1CC(=O)OC(=O)C1
InChIInChI=1S/C11H13NO3S/c1-8(5-9-3-2-4-16-9)12-6-10(13)15-11(14)7-12/h2-4,8H,5-7H2,1H3
InChIKeyOIMZWUZIWDVYPG-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.06
Rot. Bonds3

About 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione

4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione (PubChem CID 63788886) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione
PubChem CID63788886
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione
SMILESCC(Cc1cccs1)N1CC(=O)OC(=O)C1
InChIInChI=1S/C11H13NO3S/c1-8(5-9-3-2-4-16-9)12-6-10(13)15-11(14)7-12/h2-4,8H,5-7H2,1H3
InChIKeyOIMZWUZIWDVYPG-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one
CID 54089134
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione?
The IUPAC name of 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione (CID 63788886) is 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione.
What is the SMILES notation for 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione?
The canonical SMILES for 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione is CC(Cc1cccs1)N1CC(=O)OC(=O)C1.
What is the InChIKey of 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione?
The InChIKey is OIMZWUZIWDVYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8(5-9-3-2-4-16-9)12-6-10(13)15-11(14)7-12/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione?
4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione has a molecular weight of 239.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione is sourced from PubChem (CID 63788886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).