N-(6-aminohexyl)isoquinoline-5-sulfonamide

C15H21N3O2S — CID 14416484

IUPACN-(6-aminohexyl)isoquinoline-5-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H21N3O2S/c16-9-3-1-2-4-10-18-21(19,20)15-7-5-6-13-12-17-11-8-14(13)15/h5-8,11-12,18H,1-4,9-10,16H2
InChIKeyYWLUTHLGXGOMKN-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.03
Rot. Bonds8

About N-(6-aminohexyl)isoquinoline-5-sulfonamide

N-(6-aminohexyl)isoquinoline-5-sulfonamide (PubChem CID 14416484) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(6-aminohexyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)isoquinoline-5-sulfonamide
PubChem CID14416484
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(6-aminohexyl)isoquinoline-5-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H21N3O2S/c16-9-3-1-2-4-10-18-21(19,20)15-7-5-6-13-12-17-11-8-14(13)15/h5-8,11-12,18H,1-4,9-10,16H2
InChIKeyYWLUTHLGXGOMKN-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.03
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-(6-aminohexyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(6-aminohexyl)isoquinoline-5-sulfonamide (CID 14416484) is N-(6-aminohexyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)isoquinoline-5-sulfonamide is NCCCCCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(6-aminohexyl)isoquinoline-5-sulfonamide?
The InChIKey is YWLUTHLGXGOMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-9-3-1-2-4-10-18-21(19,20)15-7-5-6-13-12-17-11-8-14(13)15/h5-8,11-12,18H,1-4,9-10,16H2.
What are the key properties of N-(6-aminohexyl)isoquinoline-5-sulfonamide?
N-(6-aminohexyl)isoquinoline-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 14416484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).