methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate

C13H21NO5S2 — CID 102794926

IUPACmethyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C13H21NO5S2/c1-8-7-20-9(11(15)19-6)10(8)21(17,18)14-12(2,3)13(4,5)16/h7,14,16H,1-6H3
InChIKeyUUVRLHZCADUYRY-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.67
Rot. Bonds5

About methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102794926) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102794926
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Namemethyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C13H21NO5S2/c1-8-7-20-9(11(15)19-6)10(8)21(17,18)14-12(2,3)13(4,5)16/h7,14,16H,1-6H3
InChIKeyUUVRLHZCADUYRY-UHFFFAOYSA-N
XLogP1.67
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748597
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 102749171
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
CID 102794851
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
methyl 3-(but-3-ynylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102748829
methyl 3-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749275
methyl 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748990

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102794926) is methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is UUVRLHZCADUYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-8-7-20-9(11(15)19-6)10(8)21(17,18)14-12(2,3)13(4,5)16/h7,14,16H,1-6H3.
What are the key properties of methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102794926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).