cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium

C17H20FN2OS+ — CID 6946220

IUPACcyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C1CC1)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C17H19FN2OS/c18-14-5-3-13(4-6-14)11-20(12-16-2-1-9-22-16)17(21)10-19-15-7-8-15/h1-6,9,15,19H,7-8,10-12H2/p+1
InChIKeyMGEKZZICPGKQBS-UHFFFAOYSA-O
MW319.43 g/mol
LogP2.14
Rot. Bonds7

About cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium

cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium (PubChem CID 6946220) has the molecular formula C17H20FN2OS+ and a molecular weight of 319.43 g/mol. Its IUPAC name is cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium
PubChem CID6946220
Molecular FormulaC17H20FN2OS+
Molecular Weight319.43 g/mol
Exact Mass319.13
IUPAC Namecyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C1CC1)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C17H19FN2OS/c18-14-5-3-13(4-6-14)11-20(12-16-2-1-9-22-16)17(21)10-19-15-7-8-15/h1-6,9,15,19H,7-8,10-12H2/p+1
InChIKeyMGEKZZICPGKQBS-UHFFFAOYSA-O
XLogP2.14
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium 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 cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium (CID 6946220) is cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium is O=C(C[NH2+]C1CC1)N(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium?
The InChIKey is MGEKZZICPGKQBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19FN2OS/c18-14-5-3-13(4-6-14)11-20(12-16-2-1-9-22-16)17(21)10-19-15-7-8-15/h1-6,9,15,19H,7-8,10-12H2/p+1.
What are the key properties of cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium?
cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium has a molecular weight of 319.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 6946220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).