5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

C8H11F3N2O2S2 — CID 63227770

IUPAC5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2O2S2/c9-8(10,11)3-4-13-17(14,15)7-2-1-6(5-12)16-7/h1-2,13H,3-5,12H2
InChIKeyPKKLJETUDYROIF-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.44
Rot. Bonds5

About 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 63227770) has the molecular formula C8H11F3N2O2S2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID63227770
Molecular FormulaC8H11F3N2O2S2
Molecular Weight288.32 g/mol
Exact Mass288.02
IUPAC Name5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2O2S2/c9-8(10,11)3-4-13-17(14,15)7-2-1-6(5-12)16-7/h1-2,13H,3-5,12H2
InChIKeyPKKLJETUDYROIF-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 63227770) is 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is PKKLJETUDYROIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S2/c9-8(10,11)3-4-13-17(14,15)7-2-1-6(5-12)16-7/h1-2,13H,3-5,12H2.
What are the key properties of 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 288.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 63227770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).