1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide

C9H22NO6PS — CID 12921507

IUPAC1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide
SMILESCCOC(P(=O)(OC)OC)S(=O)(=O)N(CC)CC
InChIInChI=1S/C9H22NO6PS/c1-6-10(7-2)18(12,13)9(16-8-3)17(11,14-4)15-5/h9H,6-8H2,1-5H3
InChIKeyJPLQTYLNGUWMOB-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.46
Rot. Bonds9

About 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide

1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide (PubChem CID 12921507) has the molecular formula C9H22NO6PS and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide
PubChem CID12921507
Molecular FormulaC9H22NO6PS
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide
SMILESCCOC(P(=O)(OC)OC)S(=O)(=O)N(CC)CC
InChIInChI=1S/C9H22NO6PS/c1-6-10(7-2)18(12,13)9(16-8-3)17(11,14-4)15-5/h9H,6-8H2,1-5H3
InChIKeyJPLQTYLNGUWMOB-UHFFFAOYSA-N
XLogP1.46
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.46
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 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide?
The IUPAC name of 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide (CID 12921507) is 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide.
What is the SMILES notation for 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide?
The canonical SMILES for 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide is CCOC(P(=O)(OC)OC)S(=O)(=O)N(CC)CC.
What is the InChIKey of 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide?
The InChIKey is JPLQTYLNGUWMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO6PS/c1-6-10(7-2)18(12,13)9(16-8-3)17(11,14-4)15-5/h9H,6-8H2,1-5H3.
What are the key properties of 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide?
1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide has a molecular weight of 303.32 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1-ethoxy-N,N-diethylmethanesulfonamide is sourced from PubChem (CID 12921507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).