N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine

C11H28N2O4P2S — CID 3051181

IUPACN-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine
SMILESCCOP(=O)(SP(=O)(OC)N(CC)CC)N(CC)CC
InChIInChI=1S/C11H28N2O4P2S/c1-7-12(8-2)18(14,16-6)20-19(15,17-11-5)13(9-3)10-4/h7-11H2,1-6H3
InChIKeyLMRVNUHPUKKRHS-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.30
Rot. Bonds11

About N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine

N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine (PubChem CID 3051181) has the molecular formula C11H28N2O4P2S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine
PubChem CID3051181
Molecular FormulaC11H28N2O4P2S
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine
SMILESCCOP(=O)(SP(=O)(OC)N(CC)CC)N(CC)CC
InChIInChI=1S/C11H28N2O4P2S/c1-7-12(8-2)18(14,16-6)20-19(15,17-11-5)13(9-3)10-4/h7-11H2,1-6H3
InChIKeyLMRVNUHPUKKRHS-UHFFFAOYSA-N
XLogP4.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine?
The IUPAC name of N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine (CID 3051181) is N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine is CCOP(=O)(SP(=O)(OC)N(CC)CC)N(CC)CC.
What is the InChIKey of N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine?
The InChIKey is LMRVNUHPUKKRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O4P2S/c1-7-12(8-2)18(14,16-6)20-19(15,17-11-5)13(9-3)10-4/h7-11H2,1-6H3.
What are the key properties of N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine?
N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine has a molecular weight of 346.37 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethylamino(ethoxy)phosphoryl]sulfanyl-methoxyphosphoryl]-N-ethylethanamine is sourced from PubChem (CID 3051181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).