N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide

C17H19N3O3S — CID 129481887

IUPACN-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
SMILESO=C1CC[C@@H](NS(=O)(=O)c2cccc3cnccc23)C2(CCC2)N1
InChIInChI=1S/C17H19N3O3S/c21-16-6-5-15(17(19-16)8-2-9-17)20-24(22,23)14-4-1-3-12-11-18-10-7-13(12)14/h1,3-4,7,10-11,15,20H,2,5-6,8-9H2,(H,19,21)/t15-/m1/s1
InChIKeyDEQRWGNDTZVSCL-OAHLLOKOSA-N
MW345.42 g/mol
LogP1.71
Rot. Bonds3

About N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide

N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide (PubChem CID 129481887) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
PubChem CID129481887
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
SMILESO=C1CC[C@@H](NS(=O)(=O)c2cccc3cnccc23)C2(CCC2)N1
InChIInChI=1S/C17H19N3O3S/c21-16-6-5-15(17(19-16)8-2-9-17)20-24(22,23)14-4-1-3-12-11-18-10-7-13(12)14/h1,3-4,7,10-11,15,20H,2,5-6,8-9H2,(H,19,21)/t15-/m1/s1
InChIKeyDEQRWGNDTZVSCL-OAHLLOKOSA-N
XLogP1.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide?
The IUPAC name of N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide (CID 129481887) is N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide.
What is the SMILES notation for N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide?
The canonical SMILES for N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide is O=C1CC[C@@H](NS(=O)(=O)c2cccc3cnccc23)C2(CCC2)N1.
What is the InChIKey of N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide?
The InChIKey is DEQRWGNDTZVSCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16-6-5-15(17(19-16)8-2-9-17)20-24(22,23)14-4-1-3-12-11-18-10-7-13(12)14/h1,3-4,7,10-11,15,20H,2,5-6,8-9H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide?
N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide is sourced from PubChem (CID 129481887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).