(2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine

C8H18NO3P — CID 118885447

IUPAC(2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine
SMILESC[C@H]1CNC[C@@H](COP(C)(C)=O)O1
InChIInChI=1S/C8H18NO3P/c1-7-4-9-5-8(12-7)6-11-13(2,3)10/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyRJFAQNIXVMLASU-YUMQZZPRSA-N
MW207.21 g/mol
LogP0.92
Rot. Bonds3

About (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine

(2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine (PubChem CID 118885447) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine
PubChem CID118885447
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC Name(2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine
SMILESC[C@H]1CNC[C@@H](COP(C)(C)=O)O1
InChIInChI=1S/C8H18NO3P/c1-7-4-9-5-8(12-7)6-11-13(2,3)10/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyRJFAQNIXVMLASU-YUMQZZPRSA-N
XLogP0.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine 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 (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine?
The IUPAC name of (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine (CID 118885447) is (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine.
What is the SMILES notation for (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine?
The canonical SMILES for (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine is C[C@H]1CNC[C@@H](COP(C)(C)=O)O1.
What is the InChIKey of (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine?
The InChIKey is RJFAQNIXVMLASU-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18NO3P/c1-7-4-9-5-8(12-7)6-11-13(2,3)10/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine?
(2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine has a molecular weight of 207.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(dimethylphosphoryloxymethyl)-6-methylmorpholine is sourced from PubChem (CID 118885447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).