N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine

C12H29NO5P2S — CID 23416086

IUPACN-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine
SMILESCCOP(=O)(OCC)N(C(C)(C)C)P(=S)(OCC)OCC
InChIInChI=1S/C12H29NO5P2S/c1-8-15-19(14,16-9-2)13(12(5,6)7)20(21,17-10-3)18-11-4/h8-11H2,1-7H3
InChIKeyZUODEIHPTJRZRR-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.57
Rot. Bonds10

About N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine

N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine (PubChem CID 23416086) has the molecular formula C12H29NO5P2S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine
PubChem CID23416086
Molecular FormulaC12H29NO5P2S
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine
SMILESCCOP(=O)(OCC)N(C(C)(C)C)P(=S)(OCC)OCC
InChIInChI=1S/C12H29NO5P2S/c1-8-15-19(14,16-9-2)13(12(5,6)7)20(21,17-10-3)18-11-4/h8-11H2,1-7H3
InChIKeyZUODEIHPTJRZRR-UHFFFAOYSA-N
XLogP4.57
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine?
The IUPAC name of N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine (CID 23416086) is N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine.
What is the SMILES notation for N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine?
The canonical SMILES for N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine is CCOP(=O)(OCC)N(C(C)(C)C)P(=S)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine?
The InChIKey is ZUODEIHPTJRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO5P2S/c1-8-15-19(14,16-9-2)13(12(5,6)7)20(21,17-10-3)18-11-4/h8-11H2,1-7H3.
What are the key properties of N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine?
N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine has a molecular weight of 361.38 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine is sourced from PubChem (CID 23416086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).