N-methylsulfamoyl fluoride

CH4FNO2S — CID 54434926

IUPACN-methylsulfamoyl fluoride
SMILESCNS(=O)(=O)F
InChIInChI=1S/CH4FNO2S/c1-3-6(2,4)5/h3H,1H3
InChIKeyWKBFOPPPPFIKOU-UHFFFAOYSA-N
MW113.11 g/mol
LogP-0.58
Rot. Bonds1

About N-methylsulfamoyl fluoride

N-methylsulfamoyl fluoride (PubChem CID 54434926) has the molecular formula CH4FNO2S and a molecular weight of 113.11 g/mol. Its IUPAC name is N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-methylsulfamoyl fluoride
PubChem CID54434926
Molecular FormulaCH4FNO2S
Molecular Weight113.11 g/mol
Exact Mass112.99
IUPAC NameN-methylsulfamoyl fluoride
SMILESCNS(=O)(=O)F
InChIInChI=1S/CH4FNO2S/c1-3-6(2,4)5/h3H,1H3
InChIKeyWKBFOPPPPFIKOU-UHFFFAOYSA-N
XLogP-0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.11
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfamoyl fluoride?
The IUPAC name of N-methylsulfamoyl fluoride (CID 54434926) is N-methylsulfamoyl fluoride.
What is the SMILES notation for N-methylsulfamoyl fluoride?
The canonical SMILES for N-methylsulfamoyl fluoride is CNS(=O)(=O)F.
What is the InChIKey of N-methylsulfamoyl fluoride?
The InChIKey is WKBFOPPPPFIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4FNO2S/c1-3-6(2,4)5/h3H,1H3.
What are the key properties of N-methylsulfamoyl fluoride?
N-methylsulfamoyl fluoride has a molecular weight of 113.11 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfamoyl fluoride is sourced from PubChem (CID 54434926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).