dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate

C16H23N2O6S+ — CID 3343219

IUPACdimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)CC[NH+]2CCOCC2)c(C(=O)OC)c1C
InChIInChI=1S/C16H22N2O6S/c1-10-12(15(20)22-2)14(25-13(10)16(21)23-3)17-11(19)4-5-18-6-8-24-9-7-18/h4-9H2,1-3H3,(H,17,19)/p+1
InChIKeyAEIBGWAWNYUKSH-UHFFFAOYSA-O
MW371.44 g/mol
LogP-0.13
Rot. Bonds6

About dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate (PubChem CID 3343219) has the molecular formula C16H23N2O6S+ and a molecular weight of 371.44 g/mol. Its IUPAC name is dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
PubChem CID3343219
Molecular FormulaC16H23N2O6S+
Molecular Weight371.44 g/mol
Exact Mass371.13
IUPAC Namedimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)CC[NH+]2CCOCC2)c(C(=O)OC)c1C
InChIInChI=1S/C16H22N2O6S/c1-10-12(15(20)22-2)14(25-13(10)16(21)23-3)17-11(19)4-5-18-6-8-24-9-7-18/h4-9H2,1-3H3,(H,17,19)/p+1
InChIKeyAEIBGWAWNYUKSH-UHFFFAOYSA-O
XLogP-0.13
TPSA95.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate 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

diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 4074758
ethyl 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
CID 4753981
dimethyl 5-[4-(4-methoxyphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 28694141
diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 1182906
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-sulfanylacetyl)amino]thiophene-2,4-dicarboxylate
CID 87894756
dimethyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 2862167
dimethyl 5-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 30208823
dimethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19559898
dimethyl 3-methyl-5-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-2,4-dicarboxylate
CID 7873029
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130857
dimethyl 5-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 9454306
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 108808755

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate (CID 3343219) is dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)CC[NH+]2CCOCC2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
The InChIKey is AEIBGWAWNYUKSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N2O6S/c1-10-12(15(20)22-2)14(25-13(10)16(21)23-3)17-11(19)4-5-18-6-8-24-9-7-18/h4-9H2,1-3H3,(H,17,19)/p+1.
What are the key properties of dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate has a molecular weight of 371.44 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 3343219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).