N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride

C8H16FN2O2S+ — CID 175342461

IUPACN-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride
SMILESCCC[N+]1(C)CCCC1=NS(=O)(=O)F
InChIInChI=1S/C8H16FN2O2S/c1-3-6-11(2)7-4-5-8(11)10-14(9,12)13/h3-7H2,1-2H3/q+1
InChIKeyOOZWRFVDQKKROI-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.25
Rot. Bonds3

About N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride

N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride (PubChem CID 175342461) has the molecular formula C8H16FN2O2S+ and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride
PubChem CID175342461
Molecular FormulaC8H16FN2O2S+
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride
SMILESCCC[N+]1(C)CCCC1=NS(=O)(=O)F
InChIInChI=1S/C8H16FN2O2S/c1-3-6-11(2)7-4-5-8(11)10-14(9,12)13/h3-7H2,1-2H3/q+1
InChIKeyOOZWRFVDQKKROI-UHFFFAOYSA-N
XLogP1.25
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride?
The IUPAC name of N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride (CID 175342461) is N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride.
What is the SMILES notation for N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride?
The canonical SMILES for N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride is CCC[N+]1(C)CCCC1=NS(=O)(=O)F.
What is the InChIKey of N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride?
The InChIKey is OOZWRFVDQKKROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN2O2S/c1-3-6-11(2)7-4-5-8(11)10-14(9,12)13/h3-7H2,1-2H3/q+1.
What are the key properties of N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride?
N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride has a molecular weight of 223.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-1-propylpyrrolidin-1-ium-2-ylidene)sulfamoyl fluoride is sourced from PubChem (CID 175342461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).