N-(cyanomethyl)-N-propylsulfamoyl fluoride

C5H9FN2O2S — CID 150564353

IUPACN-(cyanomethyl)-N-propylsulfamoyl fluoride
SMILESCCCN(CC#N)S(=O)(=O)F
InChIInChI=1S/C5H9FN2O2S/c1-2-4-8(5-3-7)11(6,9)10/h2,4-5H2,1H3
InChIKeyIKNGODNVGHZKJB-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.44
Rot. Bonds4

About N-(cyanomethyl)-N-propylsulfamoyl fluoride

N-(cyanomethyl)-N-propylsulfamoyl fluoride (PubChem CID 150564353) has the molecular formula C5H9FN2O2S and a molecular weight of 180.20 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propylsulfamoyl fluoride.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propylsulfamoyl fluoride
PubChem CID150564353
Molecular FormulaC5H9FN2O2S
Molecular Weight180.20 g/mol
Exact Mass180.04
IUPAC NameN-(cyanomethyl)-N-propylsulfamoyl fluoride
SMILESCCCN(CC#N)S(=O)(=O)F
InChIInChI=1S/C5H9FN2O2S/c1-2-4-8(5-3-7)11(6,9)10/h2,4-5H2,1H3
InChIKeyIKNGODNVGHZKJB-UHFFFAOYSA-N
XLogP0.44
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propylsulfamoyl fluoride?
The IUPAC name of N-(cyanomethyl)-N-propylsulfamoyl fluoride (CID 150564353) is N-(cyanomethyl)-N-propylsulfamoyl fluoride.
What is the SMILES notation for N-(cyanomethyl)-N-propylsulfamoyl fluoride?
The canonical SMILES for N-(cyanomethyl)-N-propylsulfamoyl fluoride is CCCN(CC#N)S(=O)(=O)F.
What is the InChIKey of N-(cyanomethyl)-N-propylsulfamoyl fluoride?
The InChIKey is IKNGODNVGHZKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O2S/c1-2-4-8(5-3-7)11(6,9)10/h2,4-5H2,1H3.
What are the key properties of N-(cyanomethyl)-N-propylsulfamoyl fluoride?
N-(cyanomethyl)-N-propylsulfamoyl fluoride has a molecular weight of 180.20 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propylsulfamoyl fluoride is sourced from PubChem (CID 150564353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).