3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine

C6H12FN2O2S- — CID 68850143

IUPAC3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine
SMILESO=S([O-])NCCN1CCC(F)C1
InChIInChI=1S/C6H13FN2O2S/c7-6-1-3-9(5-6)4-2-8-12(10)11/h6,8H,1-5H2,(H,10,11)/p-1
InChIKeyNJCUQADNIAHZTN-UHFFFAOYSA-M
MW195.24 g/mol
LogP-0.59
Rot. Bonds4

About 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine

3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine (PubChem CID 68850143) has the molecular formula C6H12FN2O2S- and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine
PubChem CID68850143
Molecular FormulaC6H12FN2O2S-
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine
SMILESO=S([O-])NCCN1CCC(F)C1
InChIInChI=1S/C6H13FN2O2S/c7-6-1-3-9(5-6)4-2-8-12(10)11/h6,8H,1-5H2,(H,10,11)/p-1
InChIKeyNJCUQADNIAHZTN-UHFFFAOYSA-M
XLogP-0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine (CID 68850143) is 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine is O=S([O-])NCCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine?
The InChIKey is NJCUQADNIAHZTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13FN2O2S/c7-6-1-3-9(5-6)4-2-8-12(10)11/h6,8H,1-5H2,(H,10,11)/p-1.
What are the key properties of 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine?
3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine has a molecular weight of 195.24 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine is sourced from PubChem (CID 68850143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).