methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate

C11H17NO4S2 — CID 78836894

IUPACmethyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C11H17NO4S2/c1-7(2)8(3)12-18(14,15)9-5-6-17-10(9)11(13)16-4/h5-8,12H,1-4H3
InChIKeyKEAULDUQISUNLO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate

methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 78836894) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID78836894
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Namemethyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C11H17NO4S2/c1-7(2)8(3)12-18(14,15)9-5-6-17-10(9)11(13)16-4/h5-8,12H,1-4H3
InChIKeyKEAULDUQISUNLO-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
CID 47034950
2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 43631169
methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate
CID 71892320
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate (CID 78836894) is methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(C)C(C)C.
What is the InChIKey of methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is KEAULDUQISUNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-7(2)8(3)12-18(14,15)9-5-6-17-10(9)11(13)16-4/h5-8,12H,1-4H3.
What are the key properties of methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 78836894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).