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

C9H13F3N2O2S2 — CID 102752139

IUPAC4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O2S2/c1-6-4-17-7(3-13-2)8(6)18(15,16)14-5-9(10,11)12/h4,13-14H,3,5H2,1-2H3
InChIKeyGFEBWUAGCNNTJZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.62
Rot. Bonds5

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

4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752139) has the molecular formula C9H13F3N2O2S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752139
Molecular FormulaC9H13F3N2O2S2
Molecular Weight302.34 g/mol
Exact Mass302.04
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O2S2/c1-6-4-17-7(3-13-2)8(6)18(15,16)14-5-9(10,11)12/h4,13-14H,3,5H2,1-2H3
InChIKeyGFEBWUAGCNNTJZ-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752139) is 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is GFEBWUAGCNNTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S2/c1-6-4-17-7(3-13-2)8(6)18(15,16)14-5-9(10,11)12/h4,13-14H,3,5H2,1-2H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 302.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).