N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide

C16H23N3O2S — CID 14326802

IUPACN-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide
SMILESCCCN(CC(C)CN)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C16H23N3O2S/c1-3-9-19(12-13(2)10-17)22(20,21)16-6-4-5-14-11-18-8-7-15(14)16/h4-8,11,13H,3,9-10,12,17H2,1-2H3
InChIKeyYVGSOJQGTHNBSJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.23
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide

N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide (PubChem CID 14326802) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide
PubChem CID14326802
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide
SMILESCCCN(CC(C)CN)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C16H23N3O2S/c1-3-9-19(12-13(2)10-17)22(20,21)16-6-4-5-14-11-18-8-7-15(14)16/h4-8,11,13H,3,9-10,12,17H2,1-2H3
InChIKeyYVGSOJQGTHNBSJ-UHFFFAOYSA-N
XLogP2.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326788
N-(3-aminopropyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326787
N-(1-aminohexan-2-yl)-N-hexylisoquinoline-5-sulfonamide
CID 14326799
N-(3-aminononyl)-N-hexylisoquinoline-5-sulfonamide
CID 70054324
N-hexyl-N-(2-oxodecyl)isoquinoline-5-sulfonamide
CID 21278414
N-hexyl-N-(2-oxobutyl)isoquinoline-5-sulfonamide
CID 21278393
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
ethyl 3-[benzyl(isoquinolin-5-ylsulfonyl)amino]propanoate
CID 3839401
N-(2-chloroethyl)-N-methylisoquinoline-5-sulfonamide
CID 63396436
N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
CID 79646274
N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride
CID 11293051
N-hexyl-N-(1-hydroxyhexan-2-yl)isoquinoline-5-sulfonamide
CID 21278295

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide (CID 14326802) is N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide is CCCN(CC(C)CN)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide?
The InChIKey is YVGSOJQGTHNBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-9-19(12-13(2)10-17)22(20,21)16-6-4-5-14-11-18-8-7-15(14)16/h4-8,11,13H,3,9-10,12,17H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide?
N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide is sourced from PubChem (CID 14326802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).