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

C11H17F3N2O2S2 — CID 102752909

IUPACN-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C11H17F3N2O2S2/c1-4-16(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-15-3/h6,15H,4-5,7H2,1-3H3
InChIKeyGMSDFCVRSOCLLR-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.35
Rot. Bonds6

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

N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752909) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752909
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC NameN-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C11H17F3N2O2S2/c1-4-16(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-15-3/h6,15H,4-5,7H2,1-3H3
InChIKeyGMSDFCVRSOCLLR-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752909) is N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CNC.
What is the InChIKey of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is GMSDFCVRSOCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-4-16(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-15-3/h6,15H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).