4-[2-(benzenesulfinyl)ethyl]pyrazolidine

C11H16N2OS — CID 70595940

IUPAC4-[2-(benzenesulfinyl)ethyl]pyrazolidine
SMILESO=S(CCC1CNNC1)c1ccccc1
InChIInChI=1S/C11H16N2OS/c14-15(11-4-2-1-3-5-11)7-6-10-8-12-13-9-10/h1-5,10,12-13H,6-9H2
InChIKeyLODBQNSWXMHDSP-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.91
Rot. Bonds4

About 4-[2-(benzenesulfinyl)ethyl]pyrazolidine

4-[2-(benzenesulfinyl)ethyl]pyrazolidine (PubChem CID 70595940) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-[2-(benzenesulfinyl)ethyl]pyrazolidine.

Molecular Properties

Compound Name4-[2-(benzenesulfinyl)ethyl]pyrazolidine
PubChem CID70595940
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-[2-(benzenesulfinyl)ethyl]pyrazolidine
SMILESO=S(CCC1CNNC1)c1ccccc1
InChIInChI=1S/C11H16N2OS/c14-15(11-4-2-1-3-5-11)7-6-10-8-12-13-9-10/h1-5,10,12-13H,6-9H2
InChIKeyLODBQNSWXMHDSP-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfinyl)ethyl]pyrazolidine?
The IUPAC name of 4-[2-(benzenesulfinyl)ethyl]pyrazolidine (CID 70595940) is 4-[2-(benzenesulfinyl)ethyl]pyrazolidine.
What is the SMILES notation for 4-[2-(benzenesulfinyl)ethyl]pyrazolidine?
The canonical SMILES for 4-[2-(benzenesulfinyl)ethyl]pyrazolidine is O=S(CCC1CNNC1)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfinyl)ethyl]pyrazolidine?
The InChIKey is LODBQNSWXMHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-15(11-4-2-1-3-5-11)7-6-10-8-12-13-9-10/h1-5,10,12-13H,6-9H2.
What are the key properties of 4-[2-(benzenesulfinyl)ethyl]pyrazolidine?
4-[2-(benzenesulfinyl)ethyl]pyrazolidine has a molecular weight of 224.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfinyl)ethyl]pyrazolidine is sourced from PubChem (CID 70595940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).