methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C12H17NO5S2 — CID 102748753

IUPACmethyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C12H17NO5S2/c1-7-6-19-10(12(15)18-2)11(7)20(16,17)13-5-9(14)8-3-4-8/h6,8-9,13-14H,3-5H2,1-2H3
InChIKeyMQFVPPFCYPFVSE-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.89
Rot. Bonds6

About methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102748753) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102748753
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Namemethyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C12H17NO5S2/c1-7-6-19-10(12(15)18-2)11(7)20(16,17)13-5-9(14)8-3-4-8/h6,8-9,13-14H,3-5H2,1-2H3
InChIKeyMQFVPPFCYPFVSE-UHFFFAOYSA-N
XLogP0.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate with MolForge

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Related Compounds

3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 164641840
Methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
CID 102747797
Methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate
CID 102748738
4-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 102748802
Methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749106
Methyl 4-methyl-3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylate
CID 102749110
4-Methyl-3-(5,5,5-trifluoropentylsulfamoyl)thiophene-2-carboxylic acid
CID 102749111
Methyl 4-methyl-3-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]thiophene-2-carboxylate
CID 102794794
Methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate
CID 102794865
Methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794898
Methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794947
Methyl 3-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 103081917

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102748753) is methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCC(O)C1CC1.
What is the InChIKey of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is MQFVPPFCYPFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-7-6-19-10(12(15)18-2)11(7)20(16,17)13-5-9(14)8-3-4-8/h6,8-9,13-14H,3-5H2,1-2H3.
What are the key properties of methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102748753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).