methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate

C12H17NO5S2 — CID 102749359

IUPACmethyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1(CO)CCC1
InChIInChI=1S/C12H17NO5S2/c1-8-6-19-9(11(15)18-2)10(8)20(16,17)13-12(7-14)4-3-5-12/h6,13-14H,3-5,7H2,1-2H3
InChIKeyQWMYIMYGEKQYQY-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.04
Rot. Bonds5

About methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102749359) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102749359
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Namemethyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1(CO)CCC1
InChIInChI=1S/C12H17NO5S2/c1-8-6-19-9(11(15)18-2)10(8)20(16,17)13-12(7-14)4-3-5-12/h6,13-14H,3-5,7H2,1-2H3
InChIKeyQWMYIMYGEKQYQY-UHFFFAOYSA-N
XLogP1.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 120874294
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748990
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794951
methyl 5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]thiophene-2-carboxylate
CID 104600258
2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3,6-dimethylbenzenesulfonamide
CID 103171830
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794926
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
methyl 3-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748597

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102749359) is methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC1(CO)CCC1.
What is the InChIKey of methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is QWMYIMYGEKQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-8-6-19-9(11(15)18-2)10(8)20(16,17)13-12(7-14)4-3-5-12/h6,13-14H,3-5,7H2,1-2H3.
What are the key properties of methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102749359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).