5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

C10H15F3N2O3S2 — CID 63827100

IUPAC5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2O3S2/c11-10(12,13)7-18-6-5-15-20(16,17)9-2-1-8(19-9)3-4-14/h1-2,15H,3-7,14H2
InChIKeyBJAZWLUBVYBDER-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.11
Rot. Bonds8

About 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 63827100) has the molecular formula C10H15F3N2O3S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID63827100
Molecular FormulaC10H15F3N2O3S2
Molecular Weight332.37 g/mol
Exact Mass332.05
IUPAC Name5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2O3S2/c11-10(12,13)7-18-6-5-15-20(16,17)9-2-1-8(19-9)3-4-14/h1-2,15H,3-7,14H2
InChIKeyBJAZWLUBVYBDER-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (CID 63827100) is 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NCCOCC(F)(F)F)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is BJAZWLUBVYBDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S2/c11-10(12,13)7-18-6-5-15-20(16,17)9-2-1-8(19-9)3-4-14/h1-2,15H,3-7,14H2.
What are the key properties of 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 63827100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).