N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride

C6H14FN2O2S+ — CID 157046009

IUPACN-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride
SMILESC[N+]1(CNS(=O)(=O)F)CCCC1
InChIInChI=1S/C6H14FN2O2S/c1-9(4-2-3-5-9)6-8-12(7,10)11/h8H,2-6H2,1H3/q+1
InChIKeyVZZNGBSRSGAHAJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP-0.01
Rot. Bonds3

About N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride

N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride (PubChem CID 157046009) has the molecular formula C6H14FN2O2S+ and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride
PubChem CID157046009
Molecular FormulaC6H14FN2O2S+
Molecular Weight197.25 g/mol
Exact Mass197.08
IUPAC NameN-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride
SMILESC[N+]1(CNS(=O)(=O)F)CCCC1
InChIInChI=1S/C6H14FN2O2S/c1-9(4-2-3-5-9)6-8-12(7,10)11/h8H,2-6H2,1H3/q+1
InChIKeyVZZNGBSRSGAHAJ-UHFFFAOYSA-N
XLogP-0.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride?
The IUPAC name of N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride (CID 157046009) is N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride.
What is the SMILES notation for N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride?
The canonical SMILES for N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride is C[N+]1(CNS(=O)(=O)F)CCCC1.
What is the InChIKey of N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride?
The InChIKey is VZZNGBSRSGAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN2O2S/c1-9(4-2-3-5-9)6-8-12(7,10)11/h8H,2-6H2,1H3/q+1.
What are the key properties of N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride?
N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride has a molecular weight of 197.25 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-1-ium-1-yl)methyl]sulfamoyl fluoride is sourced from PubChem (CID 157046009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).