methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate

C12H19NO4S3 — CID 102749197

IUPACmethyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C12H19NO4S3/c1-8-6-19-10(12(14)17-4)11(8)20(15,16)13(3)9(2)7-18-5/h6,9H,7H2,1-5H3
InChIKeySROGATFYVUDZMY-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.22
Rot. Bonds6

About methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102749197) has the molecular formula C12H19NO4S3 and a molecular weight of 337.49 g/mol. Its IUPAC name is methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102749197
Molecular FormulaC12H19NO4S3
Molecular Weight337.49 g/mol
Exact Mass337.05
IUPAC Namemethyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C12H19NO4S3/c1-8-6-19-10(12(14)17-4)11(8)20(15,16)13(3)9(2)7-18-5/h6,9H,7H2,1-5H3
InChIKeySROGATFYVUDZMY-UHFFFAOYSA-N
XLogP2.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2,2-difluoroethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749343
methyl 3-[2-methoxyethyl(propan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749163
methyl 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylate
CID 102748933
methyl 3-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749275
methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 114230128
methyl 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 103101607
methyl 3-[ethyl(2-methoxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748537
methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102747971
methyl 4-methyl-3-[propyl(prop-2-ynyl)sulfamoyl]thiophene-2-carboxylate
CID 102749123
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate
CID 102748594
methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
CID 114916462

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate (CID 102749197) is methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SROGATFYVUDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S3/c1-8-6-19-10(12(14)17-4)11(8)20(15,16)13(3)9(2)7-18-5/h6,9H,7H2,1-5H3.
What are the key properties of methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 337.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102749197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).