3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid

C12H14F3NO5S2 — CID 167898154

IUPAC3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
SMILESO=C(O)C(CC1CCOC1)NS(=O)(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C12H14F3NO5S2/c13-12(14,15)9-1-2-10(22-9)23(19,20)16-8(11(17)18)5-7-3-4-21-6-7/h1-2,7-8,16H,3-6H2,(H,17,18)
InChIKeyVIDYJGBPAUTJBO-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.92
Rot. Bonds6

About 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid

3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid (PubChem CID 167898154) has the molecular formula C12H14F3NO5S2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
PubChem CID167898154
Molecular FormulaC12H14F3NO5S2
Molecular Weight373.37 g/mol
Exact Mass373.03
IUPAC Name3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
SMILESO=C(O)C(CC1CCOC1)NS(=O)(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C12H14F3NO5S2/c13-12(14,15)9-1-2-10(22-9)23(19,20)16-8(11(17)18)5-7-3-4-21-6-7/h1-2,7-8,16H,3-6H2,(H,17,18)
InChIKeyVIDYJGBPAUTJBO-UHFFFAOYSA-N
XLogP1.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-3-[(3S)-oxolan-3-yl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430238
2-[(3,5-dimethylthiophen-2-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 154742673
2-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128072
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
CID 136539877
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
CID 167762700
3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331975
2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128051
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61028179
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid?
The IUPAC name of 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid (CID 167898154) is 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid?
The canonical SMILES for 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid is O=C(O)C(CC1CCOC1)NS(=O)(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid?
The InChIKey is VIDYJGBPAUTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO5S2/c13-12(14,15)9-1-2-10(22-9)23(19,20)16-8(11(17)18)5-7-3-4-21-6-7/h1-2,7-8,16H,3-6H2,(H,17,18).
What are the key properties of 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid?
3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid has a molecular weight of 373.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid is sourced from PubChem (CID 167898154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).