spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide

C19H18N2O2S — CID 11256256

IUPACspiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide
SMILESO=S1(=O)N=C2N(Cc3ccccc3C23CCCC3)c2ccccc21
InChIInChI=1S/C19H18N2O2S/c22-24(23)17-10-4-3-9-16(17)21-13-14-7-1-2-8-15(14)19(18(21)20-24)11-5-6-12-19/h1-4,7-10H,5-6,11-13H2
InChIKeyHPHVZPSBPPIFRH-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.62
Rot. Bonds

About spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide

spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide (PubChem CID 11256256) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide.

Molecular Properties

Compound Namespiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide
PubChem CID11256256
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Namespiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide
SMILESO=S1(=O)N=C2N(Cc3ccccc3C23CCCC3)c2ccccc21
InChIInChI=1S/C19H18N2O2S/c22-24(23)17-10-4-3-9-16(17)21-13-14-7-1-2-8-15(14)19(18(21)20-24)11-5-6-12-19/h1-4,7-10H,5-6,11-13H2
InChIKeyHPHVZPSBPPIFRH-UHFFFAOYSA-N
XLogP3.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide?
The IUPAC name of spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide (CID 11256256) is spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide.
What is the SMILES notation for spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide?
The canonical SMILES for spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide is O=S1(=O)N=C2N(Cc3ccccc3C23CCCC3)c2ccccc21.
What is the InChIKey of spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide?
The InChIKey is HPHVZPSBPPIFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-24(23)17-10-4-3-9-16(17)21-13-14-7-1-2-8-15(14)19(18(21)20-24)11-5-6-12-19/h1-4,7-10H,5-6,11-13H2.
What are the key properties of spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide?
spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide has a molecular weight of 338.43 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[12H-isoquinolino[3,2-c][1,2,4]benzothiadiazine-7,1'-cyclopentane] 5,5-dioxide is sourced from PubChem (CID 11256256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).