2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide

C11H17F3N2O3S2 — CID 106064642

IUPAC2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3S2/c1-2-15-7-9-10(3-6-20-9)21(17,18)16-4-5-19-8-11(12,13)14/h3,6,15-16H,2,4-5,7-8H2,1H3
InChIKeyNKJMCFKKZXJOBR-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.71
Rot. Bonds9

About 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide (PubChem CID 106064642) has the molecular formula C11H17F3N2O3S2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
PubChem CID106064642
Molecular FormulaC11H17F3N2O3S2
Molecular Weight346.40 g/mol
Exact Mass346.06
IUPAC Name2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3S2/c1-2-15-7-9-10(3-6-20-9)21(17,18)16-4-5-19-8-11(12,13)14/h3,6,15-16H,2,4-5,7-8H2,1H3
InChIKeyNKJMCFKKZXJOBR-UHFFFAOYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.71
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

2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001559
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106066571
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide (CID 106064642) is 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
The InChIKey is NKJMCFKKZXJOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S2/c1-2-15-7-9-10(3-6-20-9)21(17,18)16-4-5-19-8-11(12,13)14/h3,6,15-16H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide has a molecular weight of 346.40 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106064642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).