2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C10H15F3N2O2S2 — CID 102752146

IUPAC2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2S2/c1-3-14-4-8-9(7(2)5-18-8)19(16,17)15-6-10(11,12)13/h5,14-15H,3-4,6H2,1-2H3
InChIKeyRUNJXJBCXQUICP-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.01
Rot. Bonds6

About 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752146) has the molecular formula C10H15F3N2O2S2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752146
Molecular FormulaC10H15F3N2O2S2
Molecular Weight316.37 g/mol
Exact Mass316.05
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2S2/c1-3-14-4-8-9(7(2)5-18-8)19(16,17)15-6-10(11,12)13/h5,14-15H,3-4,6H2,1-2H3
InChIKeyRUNJXJBCXQUICP-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752146) is 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is RUNJXJBCXQUICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S2/c1-3-14-4-8-9(7(2)5-18-8)19(16,17)15-6-10(11,12)13/h5,14-15H,3-4,6H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 316.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).