6-propan-2-ylsulfanylindolizine

C11H13NS — CID 157404144

IUPAC6-propan-2-ylsulfanylindolizine
SMILESCC(C)Sc1ccc2cccn2c1
InChIInChI=1S/C11H13NS/c1-9(2)13-11-6-5-10-4-3-7-12(10)8-11/h3-9H,1-2H3
InChIKeyIRXINQHHIBXPOR-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.44
Rot. Bonds2

About 6-propan-2-ylsulfanylindolizine

6-propan-2-ylsulfanylindolizine (PubChem CID 157404144) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 6-propan-2-ylsulfanylindolizine.

Molecular Properties

Compound Name6-propan-2-ylsulfanylindolizine
PubChem CID157404144
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name6-propan-2-ylsulfanylindolizine
SMILESCC(C)Sc1ccc2cccn2c1
InChIInChI=1S/C11H13NS/c1-9(2)13-11-6-5-10-4-3-7-12(10)8-11/h3-9H,1-2H3
InChIKeyIRXINQHHIBXPOR-UHFFFAOYSA-N
XLogP3.44
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfanylindolizine?
The IUPAC name of 6-propan-2-ylsulfanylindolizine (CID 157404144) is 6-propan-2-ylsulfanylindolizine.
What is the SMILES notation for 6-propan-2-ylsulfanylindolizine?
The canonical SMILES for 6-propan-2-ylsulfanylindolizine is CC(C)Sc1ccc2cccn2c1.
What is the InChIKey of 6-propan-2-ylsulfanylindolizine?
The InChIKey is IRXINQHHIBXPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-9(2)13-11-6-5-10-4-3-7-12(10)8-11/h3-9H,1-2H3.
What are the key properties of 6-propan-2-ylsulfanylindolizine?
6-propan-2-ylsulfanylindolizine has a molecular weight of 191.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanylindolizine is sourced from PubChem (CID 157404144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).