3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide

C20H23N3O2S — CID 22562132

IUPAC3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H23N3O2S/c24-26(25)21-19-7-3-4-8-20(19)23(26)17-9-11-22(12-10-17)18-13-15-5-1-2-6-16(15)14-18/h1-8,17-18,21H,9-14H2
InChIKeyPZTNEHOTRRRWBW-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.80
Rot. Bonds2

About 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide

3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 22562132) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID22562132
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H23N3O2S/c24-26(25)21-19-7-3-4-8-20(19)23(26)17-9-11-22(12-10-17)18-13-15-5-1-2-6-16(15)14-18/h1-8,17-18,21H,9-14H2
InChIKeyPZTNEHOTRRRWBW-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 22562132) is 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is O=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is PZTNEHOTRRRWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-26(25)21-19-7-3-4-8-20(19)23(26)17-9-11-22(12-10-17)18-13-15-5-1-2-6-16(15)14-18/h1-8,17-18,21H,9-14H2.
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 369.49 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 22562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).