3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine

C7H14FN2O2S- — CID 68951801

IUPAC3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine
SMILESO=S([O-])NCCCN1CCC(F)C1
InChIInChI=1S/C7H15FN2O2S/c8-7-2-5-10(6-7)4-1-3-9-13(11)12/h7,9H,1-6H2,(H,11,12)/p-1
InChIKeyAYMRZCPAMZPRPS-UHFFFAOYSA-M
MW209.27 g/mol
LogP-0.20
Rot. Bonds5

About 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine

3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine (PubChem CID 68951801) has the molecular formula C7H14FN2O2S- and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine
PubChem CID68951801
Molecular FormulaC7H14FN2O2S-
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine
SMILESO=S([O-])NCCCN1CCC(F)C1
InChIInChI=1S/C7H15FN2O2S/c8-7-2-5-10(6-7)4-1-3-9-13(11)12/h7,9H,1-6H2,(H,11,12)/p-1
InChIKeyAYMRZCPAMZPRPS-UHFFFAOYSA-M
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine (CID 68951801) is 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine is O=S([O-])NCCCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine?
The InChIKey is AYMRZCPAMZPRPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15FN2O2S/c8-7-2-5-10(6-7)4-1-3-9-13(11)12/h7,9H,1-6H2,(H,11,12)/p-1.
What are the key properties of 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine?
3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine has a molecular weight of 209.27 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[3-(sulfinatoamino)propyl]pyrrolidine is sourced from PubChem (CID 68951801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).