1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide

C9H22NO5PS — CID 54450901

IUPAC1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide
SMILESCCOP(=O)(CS(=O)(=O)N(CC)CC)OCC
InChIInChI=1S/C9H22NO5PS/c1-5-10(6-2)17(12,13)9-16(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKeyWUXDIDCQJFIJAY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.88
Rot. Bonds9

About 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide

1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide (PubChem CID 54450901) has the molecular formula C9H22NO5PS and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide
PubChem CID54450901
Molecular FormulaC9H22NO5PS
Molecular Weight287.32 g/mol
Exact Mass287.10
IUPAC Name1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide
SMILESCCOP(=O)(CS(=O)(=O)N(CC)CC)OCC
InChIInChI=1S/C9H22NO5PS/c1-5-10(6-2)17(12,13)9-16(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKeyWUXDIDCQJFIJAY-UHFFFAOYSA-N
XLogP1.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.88
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 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide?
The IUPAC name of 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide (CID 54450901) is 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide.
What is the SMILES notation for 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide?
The canonical SMILES for 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide is CCOP(=O)(CS(=O)(=O)N(CC)CC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide?
The InChIKey is WUXDIDCQJFIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO5PS/c1-5-10(6-2)17(12,13)9-16(11,14-7-3)15-8-4/h5-9H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide?
1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide has a molecular weight of 287.32 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N,N-diethylmethanesulfonamide is sourced from PubChem (CID 54450901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).