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

C6H13FN2O2S — CID 68850144

IUPAC3-fluoro-1-[2-(sulfinoamino)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)
InChIKeyNJCUQADNIAHZTN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.24
Rot. Bonds4

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

3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine (PubChem CID 68850144) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine
PubChem CID68850144
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name3-fluoro-1-[2-(sulfinoamino)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)
InChIKeyNJCUQADNIAHZTN-UHFFFAOYSA-N
XLogP-0.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(sulfinoamino)ethyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine (CID 68850144) is 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine is O=S(O)NCCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine?
The InChIKey is NJCUQADNIAHZTN-UHFFFAOYSA-N. 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).
What are the key properties of 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine?
3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine has a molecular weight of 196.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(sulfinoamino)ethyl]pyrrolidine is sourced from PubChem (CID 68850144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).