N-(2-methoxypropyl)-N-methylsulfamoyl fluoride

C5H12FNO3S — CID 158706228

IUPACN-(2-methoxypropyl)-N-methylsulfamoyl fluoride
SMILESCOC(C)CN(C)S(=O)(=O)F
InChIInChI=1S/C5H12FNO3S/c1-5(10-3)4-7(2)11(6,8)9/h5H,4H2,1-3H3
InChIKeyIIDMLQJXTCCKET-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.17
Rot. Bonds4

About N-(2-methoxypropyl)-N-methylsulfamoyl fluoride

N-(2-methoxypropyl)-N-methylsulfamoyl fluoride (PubChem CID 158706228) has the molecular formula C5H12FNO3S and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(2-methoxypropyl)-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-(2-methoxypropyl)-N-methylsulfamoyl fluoride
PubChem CID158706228
Molecular FormulaC5H12FNO3S
Molecular Weight185.22 g/mol
Exact Mass185.05
IUPAC NameN-(2-methoxypropyl)-N-methylsulfamoyl fluoride
SMILESCOC(C)CN(C)S(=O)(=O)F
InChIInChI=1S/C5H12FNO3S/c1-5(10-3)4-7(2)11(6,8)9/h5H,4H2,1-3H3
InChIKeyIIDMLQJXTCCKET-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-N-methylsulfamoyl fluoride?
The IUPAC name of N-(2-methoxypropyl)-N-methylsulfamoyl fluoride (CID 158706228) is N-(2-methoxypropyl)-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-(2-methoxypropyl)-N-methylsulfamoyl fluoride?
The canonical SMILES for N-(2-methoxypropyl)-N-methylsulfamoyl fluoride is COC(C)CN(C)S(=O)(=O)F.
What is the InChIKey of N-(2-methoxypropyl)-N-methylsulfamoyl fluoride?
The InChIKey is IIDMLQJXTCCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO3S/c1-5(10-3)4-7(2)11(6,8)9/h5H,4H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-N-methylsulfamoyl fluoride?
N-(2-methoxypropyl)-N-methylsulfamoyl fluoride has a molecular weight of 185.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-N-methylsulfamoyl fluoride is sourced from PubChem (CID 158706228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).