6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine

C15H24N2O2S — CID 67015451

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine
SMILESNCCCCCCS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H24N2O2S/c16-10-5-1-2-6-12-20(18,19)17-11-9-14-7-3-4-8-15(14)13-17/h3-4,7-8H,1-2,5-6,9-13,16H2
InChIKeyFNOZFLJRQWMKCG-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.89
Rot. Bonds7

About 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine

6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine (PubChem CID 67015451) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine
PubChem CID67015451
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine
SMILESNCCCCCCS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H24N2O2S/c16-10-5-1-2-6-12-20(18,19)17-11-9-14-7-3-4-8-15(14)13-17/h3-4,7-8H,1-2,5-6,9-13,16H2
InChIKeyFNOZFLJRQWMKCG-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 28704624
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-difluorobenzamide
CID 27377352
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
CID 16809508
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-naphthalen-1-ylacetamide
CID 27377379
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104873267
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-fluorophenoxy)acetamide
CID 27377357
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluorophenyl)propanamide
CID 110342779
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110342745
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine (CID 67015451) is 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine is NCCCCCCS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine?
The InChIKey is FNOZFLJRQWMKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c16-10-5-1-2-6-12-20(18,19)17-11-9-14-7-3-4-8-15(14)13-17/h3-4,7-8H,1-2,5-6,9-13,16H2.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine?
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)hexan-1-amine is sourced from PubChem (CID 67015451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).