3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide

C8H13F3N2O2S — CID 106428217

IUPAC3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCSC(F)(F)F)CCOC1
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16-4-2-13-6(14)7(12)1-3-15-5-7/h1-5,12H2,(H,13,14)
InChIKeyCSPVMAGBFYAGLK-UHFFFAOYSA-N
MW258.26 g/mol
LogP0.47
Rot. Bonds4

About 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide

3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide (PubChem CID 106428217) has the molecular formula C8H13F3N2O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide
PubChem CID106428217
Molecular FormulaC8H13F3N2O2S
Molecular Weight258.26 g/mol
Exact Mass258.06
IUPAC Name3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCSC(F)(F)F)CCOC1
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16-4-2-13-6(14)7(12)1-3-15-5-7/h1-5,12H2,(H,13,14)
InChIKeyCSPVMAGBFYAGLK-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide 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 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide (CID 106428217) is 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide is NC1(C(=O)NCCSC(F)(F)F)CCOC1.
What is the InChIKey of 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide?
The InChIKey is CSPVMAGBFYAGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S/c9-8(10,11)16-4-2-13-6(14)7(12)1-3-15-5-7/h1-5,12H2,(H,13,14).
What are the key properties of 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 106428217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).