N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide

C14H19N3O2S — CID 14416534

IUPACN-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C14H19N3O2S/c1-2-7-15-9-10-17-20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11,15,17H,2,7,9-10H2,1H3
InChIKeyCKDFSYRDWGXMGE-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide

N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide (PubChem CID 14416534) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
PubChem CID14416534
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C14H19N3O2S/c1-2-7-15-9-10-17-20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11,15,17H,2,7,9-10H2,1H3
InChIKeyCKDFSYRDWGXMGE-UHFFFAOYSA-N
XLogP1.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide?
The IUPAC name of N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide (CID 14416534) is N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide?
The canonical SMILES for N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide is CCCNCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide?
The InChIKey is CKDFSYRDWGXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-7-15-9-10-17-20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11,15,17H,2,7,9-10H2,1H3.
What are the key properties of N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide?
N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide is sourced from PubChem (CID 14416534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).