N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride

C5H9FN2O2S — CID 154981686

IUPACN-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride
SMILESCN1CCCC1=NS(=O)(=O)F
InChIInChI=1S/C5H9FN2O2S/c1-8-4-2-3-5(8)7-11(6,9)10/h2-4H2,1H3
InChIKeyUSCLRJBUNFVYEX-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.32
Rot. Bonds1

About N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride

N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride (PubChem CID 154981686) has the molecular formula C5H9FN2O2S and a molecular weight of 180.20 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride
PubChem CID154981686
Molecular FormulaC5H9FN2O2S
Molecular Weight180.20 g/mol
Exact Mass180.04
IUPAC NameN-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride
SMILESCN1CCCC1=NS(=O)(=O)F
InChIInChI=1S/C5H9FN2O2S/c1-8-4-2-3-5(8)7-11(6,9)10/h2-4H2,1H3
InChIKeyUSCLRJBUNFVYEX-UHFFFAOYSA-N
XLogP0.32
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride?
The IUPAC name of N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride (CID 154981686) is N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride.
What is the SMILES notation for N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride?
The canonical SMILES for N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride is CN1CCCC1=NS(=O)(=O)F.
What is the InChIKey of N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride?
The InChIKey is USCLRJBUNFVYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O2S/c1-8-4-2-3-5(8)7-11(6,9)10/h2-4H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride?
N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride has a molecular weight of 180.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-2-ylidene)sulfamoyl fluoride is sourced from PubChem (CID 154981686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).