2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium

C9H23NO2PS+ — CID 175432865

IUPAC2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium
SMILESCCP(=O)(CC)SOCC[N+](C)(C)C
InChIInChI=1S/C9H23NO2PS/c1-6-13(11,7-2)14-12-9-8-10(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyPBMHQNOXNKYFCP-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.68
Rot. Bonds7

About 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium

2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium (PubChem CID 175432865) has the molecular formula C9H23NO2PS+ and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium
PubChem CID175432865
Molecular FormulaC9H23NO2PS+
Molecular Weight240.33 g/mol
Exact Mass240.12
IUPAC Name2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium
SMILESCCP(=O)(CC)SOCC[N+](C)(C)C
InChIInChI=1S/C9H23NO2PS/c1-6-13(11,7-2)14-12-9-8-10(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyPBMHQNOXNKYFCP-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-diethylphosphorylsulfanylethyl(trimethyl)azanium
CID 172774852
2-butanoylsulfanyloxyethyl(trimethyl)azanium bromide
CID 175344541
2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 163641809
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693760
trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
CID 87786144
calcium;sodium;hydride;trimethyl(2-phosphonooxyethyl)azanium
CID 174453960
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550

Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium?
The IUPAC name of 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium (CID 175432865) is 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium?
The canonical SMILES for 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium is CCP(=O)(CC)SOCC[N+](C)(C)C.
What is the InChIKey of 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium?
The InChIKey is PBMHQNOXNKYFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO2PS/c1-6-13(11,7-2)14-12-9-8-10(3,4)5/h6-9H2,1-5H3/q+1.
What are the key properties of 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium?
2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium has a molecular weight of 240.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium is sourced from PubChem (CID 175432865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).