N-(3-aminopropyl)isoquinoline-5-sulfonamide

C12H15N3O2S — CID 14326791

IUPACN-(3-aminopropyl)isoquinoline-5-sulfonamide
SMILESNCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C12H15N3O2S/c13-6-2-7-15-18(16,17)12-4-1-3-10-9-14-8-5-11(10)12/h1,3-5,8-9,15H,2,6-7,13H2
InChIKeyTWCBRFPELLHNLG-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.86
Rot. Bonds5

About N-(3-aminopropyl)isoquinoline-5-sulfonamide

N-(3-aminopropyl)isoquinoline-5-sulfonamide (PubChem CID 14326791) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3-aminopropyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)isoquinoline-5-sulfonamide
PubChem CID14326791
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3-aminopropyl)isoquinoline-5-sulfonamide
SMILESNCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C12H15N3O2S/c13-6-2-7-15-18(16,17)12-4-1-3-10-9-14-8-5-11(10)12/h1,3-5,8-9,15H,2,6-7,13H2
InChIKeyTWCBRFPELLHNLG-UHFFFAOYSA-N
XLogP0.86
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
N-(3-cyanopropyl)isoquinoline-5-sulfonamide
CID 55102562
N-hex-5-ynylisoquinoline-5-sulfonamide
CID 103756893
N-(2-aminoethyl)isoquinoline-8-sulfonamide
CID 14820604
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
N-[2-(2-chloroethoxy)ethyl]isoquinoline-5-sulfonamide
CID 65033740
N-[2-(2-bromoethoxy)ethyl]isoquinoline-5-sulfonamide
CID 114295991
2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
CID 71132062
N-(2-aminoethyl)isoquinoline-4-sulfonamide
CID 69049985
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)isoquinoline-5-sulfonamide (CID 14326791) is N-(3-aminopropyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)isoquinoline-5-sulfonamide is NCCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(3-aminopropyl)isoquinoline-5-sulfonamide?
The InChIKey is TWCBRFPELLHNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-6-2-7-15-18(16,17)12-4-1-3-10-9-14-8-5-11(10)12/h1,3-5,8-9,15H,2,6-7,13H2.
What are the key properties of N-(3-aminopropyl)isoquinoline-5-sulfonamide?
N-(3-aminopropyl)isoquinoline-5-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 14326791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).