1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane

C5H13O4PS — CID 118667786

IUPAC1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)CS(C)(=O)=O
InChIInChI=1S/C5H13O4PS/c1-4-9-10(2,6)5-11(3,7)8/h4-5H2,1-3H3
InChIKeyMIKIAGOSQJCDJJ-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.93
Rot. Bonds4

About 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane

1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane (PubChem CID 118667786) has the molecular formula C5H13O4PS and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane
PubChem CID118667786
Molecular FormulaC5H13O4PS
Molecular Weight200.20 g/mol
Exact Mass200.03
IUPAC Name1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)CS(C)(=O)=O
InChIInChI=1S/C5H13O4PS/c1-4-9-10(2,6)5-11(3,7)8/h4-5H2,1-3H3
InChIKeyMIKIAGOSQJCDJJ-UHFFFAOYSA-N
XLogP0.93
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium diethoxyphosphorylmethanesulfonate
CID 23683927
CID 169428164
CID 169428164
diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane
CID 13383716
ethoxyethane;methyl(methylsulfonyl)phosphinic acid
CID 87983558
ethyl 2-diethoxyphosphoryloxyethanesulfonate
CID 151734268
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005
CID 101187988
CID 101187988
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
CID 131882906
CID 131882906
tetrasodium ethyl phosphate
CID 141178132
diaminophosphoryloxyethane
CID 12620494

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane (CID 118667786) is 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane is CCOP(C)(=O)CS(C)(=O)=O.
What is the InChIKey of 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane?
The InChIKey is MIKIAGOSQJCDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4PS/c1-4-9-10(2,6)5-11(3,7)8/h4-5H2,1-3H3.
What are the key properties of 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane?
1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane has a molecular weight of 200.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane is sourced from PubChem (CID 118667786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).