methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate

C11H18N2O4S2 — CID 114916462

IUPACmethyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H18N2O4S2/c1-7(2)13(4)19(15,16)12-9-8(3)6-18-10(9)11(14)17-5/h6-7,12H,1-5H3
InChIKeyCMAWFFMBONVMND-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.84
Rot. Bonds5

About methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate

methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate (PubChem CID 114916462) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
PubChem CID114916462
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Namemethyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H18N2O4S2/c1-7(2)13(4)19(15,16)12-9-8(3)6-18-10(9)11(14)17-5/h6-7,12H,1-5H3
InChIKeyCMAWFFMBONVMND-UHFFFAOYSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 10383342
methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
CID 114916457
methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916103
methyl 4-methyl-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]thiophene-2-carboxylate
CID 114916099
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749197
methyl 3-[2,2-difluoroethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749343
methyl 3-[2-(butylamino)propanoylamino]-4-methylthiophene-2-carboxylate
CID 71587156
3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
CID 104983078

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate (CID 114916462) is methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate is COC(=O)c1scc(C)c1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate?
The InChIKey is CMAWFFMBONVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-7(2)13(4)19(15,16)12-9-8(3)6-18-10(9)11(14)17-5/h6-7,12H,1-5H3.
What are the key properties of methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate?
methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 114916462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).