methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate

C10H12F3NO4S2 — CID 102748738

IUPACmethyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C10H12F3NO4S2/c1-6-5-19-7(9(15)18-2)8(6)20(16,17)14-4-3-10(11,12)13/h5,14H,3-4H2,1-2H3
InChIKeyPSJSNDGEEBLRIV-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.07
Rot. Bonds5

About methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate

methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate (PubChem CID 102748738) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate
PubChem CID102748738
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Namemethyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C10H12F3NO4S2/c1-6-5-19-7(9(15)18-2)8(6)20(16,17)14-4-3-10(11,12)13/h5,14H,3-4H2,1-2H3
InChIKeyPSJSNDGEEBLRIV-UHFFFAOYSA-N
XLogP2.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
CID 11299311
3-Thiophenecarboxylic acid, 4-(isocyanatosulfonyl)-5-methyl-, methyl ester
CID 57957831
Methyl 3-{[2-(4-fluorophenyl)ethyl]sulfamoyl}thiophene-2-carboxylate
CID 16766382
Propyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 17887701
Methyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434496
Ethyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434497
Propan-2-yl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434532
Propyl 3-chlorosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434539
Ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
Methyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434698
Propyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434722
Ethyl 3-chlorosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434747

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate (CID 102748738) is methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is PSJSNDGEEBLRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-6-5-19-7(9(15)18-2)8(6)20(16,17)14-4-3-10(11,12)13/h5,14H,3-4H2,1-2H3.
What are the key properties of methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate?
methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 331.34 g/mol, XLogP of 2.07, 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-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 102748738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).