2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide

C15H16N2O3S — CID 144713254

IUPAC2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide
SMILESO=C1NCc2ccccc21.O=S1(=O)NCC2=CCCC=C21
InChIInChI=1S/C8H7NO.C7H9NO2S/c10-8-7-4-2-1-3-6(7)5-9-8;9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4H,5H2,(H,9,10);3-4,8H,1-2,5H2
InChIKeyLGIDWFCWVRBOFR-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.45
Rot. Bonds

About 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide

2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 144713254) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide
PubChem CID144713254
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide
SMILESO=C1NCc2ccccc21.O=S1(=O)NCC2=CCCC=C21
InChIInChI=1S/C8H7NO.C7H9NO2S/c10-8-7-4-2-1-3-6(7)5-9-8;9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4H,5H2,(H,9,10);3-4,8H,1-2,5H2
InChIKeyLGIDWFCWVRBOFR-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroisoindol-1-one;methane
CID 161271775
2,3-dihydroisoindol-1-one;isoindole-1,3-dione
CID 68591479
2,3-dihydroisoindol-1-one;perylene
CID 157138971
bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
CID 158725420
4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one
CID 68694593
5-isocyano-2,3-dihydroisoindol-1-one
CID 123852745
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029
2,3-dihydroisoindol-1-one;2-phenylchromen-4-one
CID 175495786
7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
CID 16666857
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851
3,3-dimethyl-4,5-dihydro-2H-2-benzazepin-1-one
CID 22903646

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide (CID 144713254) is 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide is O=C1NCc2ccccc21.O=S1(=O)NCC2=CCCC=C21.
What is the InChIKey of 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is LGIDWFCWVRBOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C7H9NO2S/c10-8-7-4-2-1-3-6(7)5-9-8;9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4H,5H2,(H,9,10);3-4,8H,1-2,5H2.
What are the key properties of 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide?
2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 304.37 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 144713254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).