methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate

C10H12F3NO4S2 — CID 102748176

IUPACmethyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H12F3NO4S2/c1-6-4-19-7(9(15)18-3)8(6)20(16,17)14(2)5-10(11,12)13/h4H,5H2,1-3H3
InChIKeyOSFPSPQWOGHHIZ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.03
Rot. Bonds4

About methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102748176) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102748176
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Namemethyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H12F3NO4S2/c1-6-4-19-7(9(15)18-3)8(6)20(16,17)14(2)5-10(11,12)13/h4H,5H2,1-3H3
InChIKeyOSFPSPQWOGHHIZ-UHFFFAOYSA-N
XLogP2.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
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-(chlorosulfonyl)-4-methylthiophene-2-carboxylate
CID 18434694
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-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate (CID 102748176) is methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is OSFPSPQWOGHHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-6-4-19-7(9(15)18-3)8(6)20(16,17)14(2)5-10(11,12)13/h4H,5H2,1-3H3.
What are the key properties of methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 331.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102748176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).