2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide

C12H11NO3S — CID 159067911

IUPAC2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide
SMILESO=C1CCc2ccccc21.O=S1(=O)C=CC=N1
InChIInChI=1S/C9H8O.C3H3NO2S/c10-9-6-5-7-3-1-2-4-8(7)9;5-7(6)3-1-2-4-7/h1-4H,5-6H2;1-3H
InChIKeyJZHFZQUWVLSHFA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.73
Rot. Bonds

About 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide

2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide (PubChem CID 159067911) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide
PubChem CID159067911
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide
SMILESO=C1CCc2ccccc21.O=S1(=O)C=CC=N1
InChIInChI=1S/C9H8O.C3H3NO2S/c10-9-6-5-7-3-1-2-4-8(7)9;5-7(6)3-1-2-4-7/h1-4H,5-6H2;1-3H
InChIKeyJZHFZQUWVLSHFA-UHFFFAOYSA-N
XLogP1.73
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide?
The IUPAC name of 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide (CID 159067911) is 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide?
The canonical SMILES for 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide is O=C1CCc2ccccc21.O=S1(=O)C=CC=N1.
What is the InChIKey of 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide?
The InChIKey is JZHFZQUWVLSHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C3H3NO2S/c10-9-6-5-7-3-1-2-4-8(7)9;5-7(6)3-1-2-4-7/h1-4H,5-6H2;1-3H.
What are the key properties of 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide?
2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide has a molecular weight of 249.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 159067911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).