ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate

C9H10F3NO4S2 — CID 63618205

IUPACethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-3-17-8(14)6-4-5(2)18-7(6)13-19(15,16)9(10,11)12/h4,13H,3H2,1-2H3
InChIKeyIHXVOHLDZIJXNS-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.49
Rot. Bonds4

About ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate

ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate (PubChem CID 63618205) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate
PubChem CID63618205
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Nameethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-3-17-8(14)6-4-5(2)18-7(6)13-19(15,16)9(10,11)12/h4,13H,3H2,1-2H3
InChIKeyIHXVOHLDZIJXNS-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate (CID 63618205) is ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate?
The InChIKey is IHXVOHLDZIJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-3-17-8(14)6-4-5(2)18-7(6)13-19(15,16)9(10,11)12/h4,13H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate?
ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate has a molecular weight of 317.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(trifluoromethylsulfonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 63618205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).