[[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid

C14H24NO4PSSi — CID 15160374

IUPAC[[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid
SMILESC[Si](C)(C)CCSC(=O)CNCP(=O)(O)Oc1ccccc1
InChIInChI=1S/C14H24NO4PSSi/c1-22(2,3)10-9-21-14(16)11-15-12-20(17,18)19-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3,(H,17,18)
InChIKeyXMJOXFXPSUHBTO-UHFFFAOYSA-N
MW361.48 g/mol
LogP3.40
Rot. Bonds9

About [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid

[[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid (PubChem CID 15160374) has the molecular formula C14H24NO4PSSi and a molecular weight of 361.48 g/mol. Its IUPAC name is [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid.

Molecular Properties

Compound Name[[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid
PubChem CID15160374
Molecular FormulaC14H24NO4PSSi
Molecular Weight361.48 g/mol
Exact Mass361.09
IUPAC Name[[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid
SMILESC[Si](C)(C)CCSC(=O)CNCP(=O)(O)Oc1ccccc1
InChIInChI=1S/C14H24NO4PSSi/c1-22(2,3)10-9-21-14(16)11-15-12-20(17,18)19-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3,(H,17,18)
InChIKeyXMJOXFXPSUHBTO-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic 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-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid?
The IUPAC name of [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid (CID 15160374) is [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid.
What is the SMILES notation for [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid?
The canonical SMILES for [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid is C[Si](C)(C)CCSC(=O)CNCP(=O)(O)Oc1ccccc1.
What is the InChIKey of [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid?
The InChIKey is XMJOXFXPSUHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO4PSSi/c1-22(2,3)10-9-21-14(16)11-15-12-20(17,18)19-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3,(H,17,18).
What are the key properties of [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid?
[[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid has a molecular weight of 361.48 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-oxo-2-(2-trimethylsilylethylsulfanyl)ethyl]amino]methyl-phenoxyphosphinic acid is sourced from PubChem (CID 15160374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).