4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide

C15H16N2O2S — CID 137374425

IUPAC4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C15H16N2O2S/c18-20(19)7-5-11(6-8-20)15-13-4-2-1-3-12(13)14-9-16-10-17(14)15/h1-4,9-11,15H,5-8H2
InChIKeyLIZWLPYELKWVML-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.28
Rot. Bonds1

About 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide

4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide (PubChem CID 137374425) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
PubChem CID137374425
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C15H16N2O2S/c18-20(19)7-5-11(6-8-20)15-13-4-2-1-3-12(13)14-9-16-10-17(14)15/h1-4,9-11,15H,5-8H2
InChIKeyLIZWLPYELKWVML-UHFFFAOYSA-N
XLogP2.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide (CID 137374425) is 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide is O=S1(=O)CCC(C2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide?
The InChIKey is LIZWLPYELKWVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19)7-5-11(6-8-20)15-13-4-2-1-3-12(13)14-9-16-10-17(14)15/h1-4,9-11,15H,5-8H2.
What are the key properties of 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide?
4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide has a molecular weight of 288.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide is sourced from PubChem (CID 137374425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).