methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate

C8H10N2O5S2 — CID 140994408

IUPACmethyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(N)=O
InChIInChI=1S/C8H10N2O5S2/c1-4-3-16-5(7(11)15-2)6(4)17(13,14)10-8(9)12/h3H,1-2H3,(H3,9,10,12)
InChIKeyGCEINQMBMDDENK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.20
Rot. Bonds3

About methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate

methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate (PubChem CID 140994408) has the molecular formula C8H10N2O5S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
PubChem CID140994408
Molecular FormulaC8H10N2O5S2
Molecular Weight278.31 g/mol
Exact Mass278.00
IUPAC Namemethyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(N)=O
InChIInChI=1S/C8H10N2O5S2/c1-4-3-16-5(7(11)15-2)6(4)17(13,14)10-8(9)12/h3H,1-2H3,(H3,9,10,12)
InChIKeyGCEINQMBMDDENK-UHFFFAOYSA-N
XLogP0.20
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
CID 102794851
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-(but-3-ynylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102748829
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
methyl 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748990
methyl 3-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748597
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 120874294
methyl 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 103101607

Frequently Asked Questions

What is the IUPAC name of methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate (CID 140994408) is methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC(N)=O.
What is the InChIKey of methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate?
The InChIKey is GCEINQMBMDDENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S2/c1-4-3-16-5(7(11)15-2)6(4)17(13,14)10-8(9)12/h3H,1-2H3,(H3,9,10,12).
What are the key properties of methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate?
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 140994408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).