3-(benzenesulfinyl)pyrrolidine

C10H13NOS — CID 84666467

IUPAC3-(benzenesulfinyl)pyrrolidine
SMILESO=S(c1ccccc1)C1CCNC1
InChIInChI=1S/C10H13NOS/c12-13(10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyDNIAQGPOQYPHPJ-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.16
Rot. Bonds2

About 3-(benzenesulfinyl)pyrrolidine

3-(benzenesulfinyl)pyrrolidine (PubChem CID 84666467) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-(benzenesulfinyl)pyrrolidine.

Molecular Properties

Compound Name3-(benzenesulfinyl)pyrrolidine
PubChem CID84666467
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-(benzenesulfinyl)pyrrolidine
SMILESO=S(c1ccccc1)C1CCNC1
InChIInChI=1S/C10H13NOS/c12-13(10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyDNIAQGPOQYPHPJ-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)pyrrolidine?
The IUPAC name of 3-(benzenesulfinyl)pyrrolidine (CID 84666467) is 3-(benzenesulfinyl)pyrrolidine.
What is the SMILES notation for 3-(benzenesulfinyl)pyrrolidine?
The canonical SMILES for 3-(benzenesulfinyl)pyrrolidine is O=S(c1ccccc1)C1CCNC1.
What is the InChIKey of 3-(benzenesulfinyl)pyrrolidine?
The InChIKey is DNIAQGPOQYPHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-13(10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 3-(benzenesulfinyl)pyrrolidine?
3-(benzenesulfinyl)pyrrolidine has a molecular weight of 195.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)pyrrolidine is sourced from PubChem (CID 84666467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).