5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid

C9H10F3NO5S2 — CID 171534458

IUPAC5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid
SMILESC[C@@H](COc1cc(C(=O)O)cs1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO5S2/c1-5(13-20(16,17)9(10,11)12)3-18-7-2-6(4-19-7)8(14)15/h2,4-5,13H,3H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyOUGHOTJRNQKZCB-YFKPBYRVSA-N
MW333.31 g/mol
LogP1.65
Rot. Bonds6

About 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid

5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid (PubChem CID 171534458) has the molecular formula C9H10F3NO5S2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid
PubChem CID171534458
Molecular FormulaC9H10F3NO5S2
Molecular Weight333.31 g/mol
Exact Mass333.00
IUPAC Name5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid
SMILESC[C@@H](COc1cc(C(=O)O)cs1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO5S2/c1-5(13-20(16,17)9(10,11)12)3-18-7-2-6(4-19-7)8(14)15/h2,4-5,13H,3H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyOUGHOTJRNQKZCB-YFKPBYRVSA-N
XLogP1.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid 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-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid (CID 171534458) is 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid is C[C@@H](COc1cc(C(=O)O)cs1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid?
The InChIKey is OUGHOTJRNQKZCB-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F3NO5S2/c1-5(13-20(16,17)9(10,11)12)3-18-7-2-6(4-19-7)8(14)15/h2,4-5,13H,3H2,1H3,(H,14,15)/t5-/m0/s1.
What are the key properties of 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid?
5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid has a molecular weight of 333.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid is sourced from PubChem (CID 171534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).