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

C11H17F3N2O2S2 — CID 102752148

IUPAC4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S2/c1-3-4-15-5-9-10(8(2)6-19-9)20(17,18)16-7-11(12,13)14/h6,15-16H,3-5,7H2,1-2H3
InChIKeyMHOHTABXYJLILI-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.40
Rot. Bonds7

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

4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752148) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752148
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S2/c1-3-4-15-5-9-10(8(2)6-19-9)20(17,18)16-7-11(12,13)14/h6,15-16H,3-5,7H2,1-2H3
InChIKeyMHOHTABXYJLILI-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752148) is 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is MHOHTABXYJLILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-3-4-15-5-9-10(8(2)6-19-9)20(17,18)16-7-11(12,13)14/h6,15-16H,3-5,7H2,1-2H3.
What are the key properties of 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).