2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid

C17H23F3N2O3S — CID 155840743

IUPAC2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)NC1CC2CCC1N2Cc1ccsc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2OS.C2HF3O2/c1-10(2)15(18)16-13-7-12-3-4-14(13)17(12)8-11-5-6-19-9-11;3-2(4,5)1(6)7/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,16,18);(H,6,7)
InChIKeySSBQGJLDMLUVIJ-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid

2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 155840743) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID155840743
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)NC1CC2CCC1N2Cc1ccsc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2OS.C2HF3O2/c1-10(2)15(18)16-13-7-12-3-4-14(13)17(12)8-11-5-6-19-9-11;3-2(4,5)1(6)7/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,16,18);(H,6,7)
InChIKeySSBQGJLDMLUVIJ-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic 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 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid (CID 155840743) is 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid is CC(C)C(=O)NC1CC2CCC1N2Cc1ccsc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is SSBQGJLDMLUVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.C2HF3O2/c1-10(2)15(18)16-13-7-12-3-4-14(13)17(12)8-11-5-6-19-9-11;3-2(4,5)1(6)7/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,16,18);(H,6,7).
What are the key properties of 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid?
2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 392.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).