4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

C11H17F3N2O3S2 — CID 106064620

IUPAC4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCCOCC(F)(F)F)cc1C
InChIInChI=1S/C11H17F3N2O3S2/c1-8-5-10(20-9(8)6-15-2)21(17,18)16-3-4-19-7-11(12,13)14/h5,15-16H,3-4,6-7H2,1-2H3
InChIKeyORSKYOQGEXTYFY-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.63
Rot. Bonds8

About 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 106064620) has the molecular formula C11H17F3N2O3S2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID106064620
Molecular FormulaC11H17F3N2O3S2
Molecular Weight346.40 g/mol
Exact Mass346.06
IUPAC Name4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCCOCC(F)(F)F)cc1C
InChIInChI=1S/C11H17F3N2O3S2/c1-8-5-10(20-9(8)6-15-2)21(17,18)16-3-4-19-7-11(12,13)14/h5,15-16H,3-4,6-7H2,1-2H3
InChIKeyORSKYOQGEXTYFY-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094042
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095002
4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106411268
N-(3-imidazol-1-ylpropyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029752
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
4-methyl-5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 106068124
N-(1-ethoxypropan-2-yl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106054220
3-amino-5-fluoro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 116791887
3-(aminomethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 106064650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (CID 106064620) is 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NCCOCC(F)(F)F)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is ORSKYOQGEXTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S2/c1-8-5-10(20-9(8)6-15-2)21(17,18)16-3-4-19-7-11(12,13)14/h5,15-16H,3-4,6-7H2,1-2H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 346.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106064620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).