3-sulfinyl-2H-indolizine

C8H7NOS — CID 175516315

IUPAC3-sulfinyl-2H-indolizine
SMILESO=S=C1CC=C2C=CC=CN21
InChIInChI=1S/C8H7NOS/c10-11-8-5-4-7-3-1-2-6-9(7)8/h1-4,6H,5H2
InChIKeyWOVXDHJQWRGGCB-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.00
Rot. Bonds

About 3-sulfinyl-2H-indolizine

3-sulfinyl-2H-indolizine (PubChem CID 175516315) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-sulfinyl-2H-indolizine.

Molecular Properties

Compound Name3-sulfinyl-2H-indolizine
PubChem CID175516315
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name3-sulfinyl-2H-indolizine
SMILESO=S=C1CC=C2C=CC=CN21
InChIInChI=1S/C8H7NOS/c10-11-8-5-4-7-3-1-2-6-9(7)8/h1-4,6H,5H2
InChIKeyWOVXDHJQWRGGCB-UHFFFAOYSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-sulfinyl-2H-indolizine?
The IUPAC name of 3-sulfinyl-2H-indolizine (CID 175516315) is 3-sulfinyl-2H-indolizine.
What is the SMILES notation for 3-sulfinyl-2H-indolizine?
The canonical SMILES for 3-sulfinyl-2H-indolizine is O=S=C1CC=C2C=CC=CN21.
What is the InChIKey of 3-sulfinyl-2H-indolizine?
The InChIKey is WOVXDHJQWRGGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-11-8-5-4-7-3-1-2-6-9(7)8/h1-4,6H,5H2.
What are the key properties of 3-sulfinyl-2H-indolizine?
3-sulfinyl-2H-indolizine has a molecular weight of 165.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfinyl-2H-indolizine is sourced from PubChem (CID 175516315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).