6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide

C16H18N4O2S — CID 137374428

IUPAC6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide
SMILESNS(=O)(=O)N1CC2(CC(C3c4ccccc4-c4cncn43)C2)C1
InChIInChI=1S/C16H18N4O2S/c17-23(21,22)19-8-16(9-19)5-11(6-16)15-13-4-2-1-3-12(13)14-7-18-10-20(14)15/h1-4,7,10-11,15H,5-6,8-9H2,(H2,17,21,22)
InChIKeyIRANVTLDYUXDDE-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.37
Rot. Bonds2

About 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide

6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide (PubChem CID 137374428) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide.

Molecular Properties

Compound Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide
PubChem CID137374428
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide
SMILESNS(=O)(=O)N1CC2(CC(C3c4ccccc4-c4cncn43)C2)C1
InChIInChI=1S/C16H18N4O2S/c17-23(21,22)19-8-16(9-19)5-11(6-16)15-13-4-2-1-3-12(13)14-7-18-10-20(14)15/h1-4,7,10-11,15H,5-6,8-9H2,(H2,17,21,22)
InChIKeyIRANVTLDYUXDDE-UHFFFAOYSA-N
XLogP1.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide?
The IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide (CID 137374428) is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide.
What is the SMILES notation for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide?
The canonical SMILES for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide is NS(=O)(=O)N1CC2(CC(C3c4ccccc4-c4cncn43)C2)C1.
What is the InChIKey of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide?
The InChIKey is IRANVTLDYUXDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-23(21,22)19-8-16(9-19)5-11(6-16)15-13-4-2-1-3-12(13)14-7-18-10-20(14)15/h1-4,7,10-11,15H,5-6,8-9H2,(H2,17,21,22).
What are the key properties of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide?
6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide is sourced from PubChem (CID 137374428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).