2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide

C10H20NO4PS — CID 10755263

IUPAC2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide
SMILESCCOP(=O)(OCC)N1CC(C)=C(C)CS1=O
InChIInChI=1S/C10H20NO4PS/c1-5-14-16(12,15-6-2)11-7-9(3)10(4)8-17(11)13/h5-8H2,1-4H3
InChIKeyLKYBPOZSOYBRQX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.48
Rot. Bonds5

About 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide

2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide (PubChem CID 10755263) has the molecular formula C10H20NO4PS and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide
PubChem CID10755263
Molecular FormulaC10H20NO4PS
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC Name2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide
SMILESCCOP(=O)(OCC)N1CC(C)=C(C)CS1=O
InChIInChI=1S/C10H20NO4PS/c1-5-14-16(12,15-6-2)11-7-9(3)10(4)8-17(11)13/h5-8H2,1-4H3
InChIKeyLKYBPOZSOYBRQX-UHFFFAOYSA-N
XLogP2.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide?
The IUPAC name of 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide (CID 10755263) is 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide.
What is the SMILES notation for 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide?
The canonical SMILES for 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide is CCOP(=O)(OCC)N1CC(C)=C(C)CS1=O.
What is the InChIKey of 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide?
The InChIKey is LKYBPOZSOYBRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO4PS/c1-5-14-16(12,15-6-2)11-7-9(3)10(4)8-17(11)13/h5-8H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide?
2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide has a molecular weight of 281.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-4,5-dimethyl-3,6-dihydrothiazine 1-oxide is sourced from PubChem (CID 10755263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).