diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium

C12H22NO2S+ — CID 2125918

IUPACdiethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium
SMILESCC[NH+](CC)C[C@@H](O)COCc1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-13(4-2)8-11(14)9-15-10-12-6-5-7-16-12/h5-7,11,14H,3-4,8-10H2,1-2H3/p+1/t11-/m1/s1
InChIKeyXMTHZDVWABKZBS-LLVKDONJSA-O
MW244.38 g/mol
LogP0.55
Rot. Bonds8

About diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium

diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium (PubChem CID 2125918) has the molecular formula C12H22NO2S+ and a molecular weight of 244.38 g/mol. Its IUPAC name is diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium.

Molecular Properties

Compound Namediethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium
PubChem CID2125918
Molecular FormulaC12H22NO2S+
Molecular Weight244.38 g/mol
Exact Mass244.14
IUPAC Namediethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium
SMILESCC[NH+](CC)C[C@@H](O)COCc1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-13(4-2)8-11(14)9-15-10-12-6-5-7-16-12/h5-7,11,14H,3-4,8-10H2,1-2H3/p+1/t11-/m1/s1
InChIKeyXMTHZDVWABKZBS-LLVKDONJSA-O
XLogP0.55
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]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 diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium?
The IUPAC name of diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium (CID 2125918) is diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium.
What is the SMILES notation for diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium?
The canonical SMILES for diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium is CC[NH+](CC)C[C@@H](O)COCc1cccs1.
What is the InChIKey of diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium?
The InChIKey is XMTHZDVWABKZBS-LLVKDONJSA-O. The full InChI is InChI=1S/C12H21NO2S/c1-3-13(4-2)8-11(14)9-15-10-12-6-5-7-16-12/h5-7,11,14H,3-4,8-10H2,1-2H3/p+1/t11-/m1/s1.
What are the key properties of diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium?
diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium has a molecular weight of 244.38 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium is sourced from PubChem (CID 2125918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).