methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate

C11H16N2O5S2 — CID 102749171

IUPACmethyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C11H16N2O5S2/c1-8-7-19-9(11(14)17-2)10(8)20(15,16)12-13-3-5-18-6-4-13/h7,12H,3-6H2,1-2H3
InChIKeyHUEXKOFYFUXANL-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.37
Rot. Bonds4

About methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate

methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 102749171) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID102749171
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Namemethyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C11H16N2O5S2/c1-8-7-19-9(11(14)17-2)10(8)20(15,16)12-13-3-5-18-6-4-13/h7,12H,3-6H2,1-2H3
InChIKeyHUEXKOFYFUXANL-UHFFFAOYSA-N
XLogP0.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 102748004
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794926
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 4-methyl-3-(2-piperazin-1-ylethylsulfamoyl)thiophene-2-carboxylate
CID 120874612
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
CID 120874655
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 83005623
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794951
methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methylthiophene-2-carboxylate
CID 102747496
methyl 4-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-2-carboxylate
CID 106313476

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate (CID 102749171) is methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NN1CCOCC1.
What is the InChIKey of methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is HUEXKOFYFUXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-8-7-19-9(11(14)17-2)10(8)20(15,16)12-13-3-5-18-6-4-13/h7,12H,3-6H2,1-2H3.
What are the key properties of methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate?
methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 102749171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).