spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide

C12H11NOS — CID 70499421

IUPACspiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide
SMILESO=S1CC=C2C1=CC=CC21C=CC=CN1
InChIInChI=1S/C12H11NOS/c14-15-9-5-10-11(15)4-3-7-12(10)6-1-2-8-13-12/h1-8,13H,9H2
InChIKeyLHIGRUXPMJSQHB-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.54
Rot. Bonds

About spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide

spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide (PubChem CID 70499421) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide.

Molecular Properties

Compound Namespiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide
PubChem CID70499421
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Namespiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide
SMILESO=S1CC=C2C1=CC=CC21C=CC=CN1
InChIInChI=1S/C12H11NOS/c14-15-9-5-10-11(15)4-3-7-12(10)6-1-2-8-13-12/h1-8,13H,9H2
InChIKeyLHIGRUXPMJSQHB-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide?
The IUPAC name of spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide (CID 70499421) is spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide.
What is the SMILES notation for spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide?
The canonical SMILES for spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide is O=S1CC=C2C1=CC=CC21C=CC=CN1.
What is the InChIKey of spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide?
The InChIKey is LHIGRUXPMJSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-15-9-5-10-11(15)4-3-7-12(10)6-1-2-8-13-12/h1-8,13H,9H2.
What are the key properties of spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide?
spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide has a molecular weight of 217.29 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyridine-2,4'-2H-1-benzothiophene] 1'-oxide is sourced from PubChem (CID 70499421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).