methyl N-[fluoro(propoxy)phosphoryl]sulfamate

C4H11FNO5PS — CID 155207362

IUPACmethyl N-[fluoro(propoxy)phosphoryl]sulfamate
SMILESCCCOP(=O)(F)NS(=O)(=O)OC
InChIInChI=1S/C4H11FNO5PS/c1-3-4-11-12(5,7)6-13(8,9)10-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyOAZZQYVOFHDJTE-UHFFFAOYSA-N
MW235.17 g/mol
LogP0.97
Rot. Bonds6

About methyl N-[fluoro(propoxy)phosphoryl]sulfamate

methyl N-[fluoro(propoxy)phosphoryl]sulfamate (PubChem CID 155207362) has the molecular formula C4H11FNO5PS and a molecular weight of 235.17 g/mol. Its IUPAC name is methyl N-[fluoro(propoxy)phosphoryl]sulfamate.

Molecular Properties

Compound Namemethyl N-[fluoro(propoxy)phosphoryl]sulfamate
PubChem CID155207362
Molecular FormulaC4H11FNO5PS
Molecular Weight235.17 g/mol
Exact Mass235.01
IUPAC Namemethyl N-[fluoro(propoxy)phosphoryl]sulfamate
SMILESCCCOP(=O)(F)NS(=O)(=O)OC
InChIInChI=1S/C4H11FNO5PS/c1-3-4-11-12(5,7)6-13(8,9)10-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyOAZZQYVOFHDJTE-UHFFFAOYSA-N
XLogP0.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butane;methyl methanesulfonate
CID 174496202
4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
CID 155207384
1-[fluoro(iodo)phosphoryl]oxypropane
CID 175579008
1-[fluoro(propan-2-yl)phosphoryl]oxypropane
CID 581249
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
CID 18430553
octyl N-diethoxyphosphorylsulfamate
CID 23419685
fluoromethane;1-methoxypropane
CID 54348192
1-[fluoro(propoxy)phosphoryl]oxyhexane
CID 172772992
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
methyl methanesulfonate;methyl propanoate
CID 174856082
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685

Frequently Asked Questions

What is the IUPAC name of methyl N-[fluoro(propoxy)phosphoryl]sulfamate?
The IUPAC name of methyl N-[fluoro(propoxy)phosphoryl]sulfamate (CID 155207362) is methyl N-[fluoro(propoxy)phosphoryl]sulfamate.
What is the SMILES notation for methyl N-[fluoro(propoxy)phosphoryl]sulfamate?
The canonical SMILES for methyl N-[fluoro(propoxy)phosphoryl]sulfamate is CCCOP(=O)(F)NS(=O)(=O)OC.
What is the InChIKey of methyl N-[fluoro(propoxy)phosphoryl]sulfamate?
The InChIKey is OAZZQYVOFHDJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FNO5PS/c1-3-4-11-12(5,7)6-13(8,9)10-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl N-[fluoro(propoxy)phosphoryl]sulfamate?
methyl N-[fluoro(propoxy)phosphoryl]sulfamate has a molecular weight of 235.17 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[fluoro(propoxy)phosphoryl]sulfamate is sourced from PubChem (CID 155207362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).