N-(2-aminoethyl)isoquinoline-4-sulfonamide

C11H13N3O2S — CID 69049985

IUPACN-(2-aminoethyl)isoquinoline-4-sulfonamide
SMILESNCCNS(=O)(=O)c1cncc2ccccc12
InChIInChI=1S/C11H13N3O2S/c12-5-6-14-17(15,16)11-8-13-7-9-3-1-2-4-10(9)11/h1-4,7-8,14H,5-6,12H2
InChIKeyYWIUJWVWUWSCFE-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.47
Rot. Bonds4

About N-(2-aminoethyl)isoquinoline-4-sulfonamide

N-(2-aminoethyl)isoquinoline-4-sulfonamide (PubChem CID 69049985) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-aminoethyl)isoquinoline-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)isoquinoline-4-sulfonamide
PubChem CID69049985
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(2-aminoethyl)isoquinoline-4-sulfonamide
SMILESNCCNS(=O)(=O)c1cncc2ccccc12
InChIInChI=1S/C11H13N3O2S/c12-5-6-14-17(15,16)11-8-13-7-9-3-1-2-4-10(9)11/h1-4,7-8,14H,5-6,12H2
InChIKeyYWIUJWVWUWSCFE-UHFFFAOYSA-N
XLogP0.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)isoquinoline-8-sulfonamide
CID 14820604
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]isoquinoline-4-sulfonamide;hydrochloride
CID 57398618
N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
N-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]isoquinoline-4-sulfonamide;hydrochloride
CID 172869473
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
N-(2-aminoethyl)-2-methoxynaphthalene-1-sulfonamide
CID 164548549
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
N-[2-(3-naphthalen-1-ylprop-2-enylamino)ethyl]isoquinoline-5-sulfonamide
CID 54425240

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)isoquinoline-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)isoquinoline-4-sulfonamide (CID 69049985) is N-(2-aminoethyl)isoquinoline-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)isoquinoline-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)isoquinoline-4-sulfonamide is NCCNS(=O)(=O)c1cncc2ccccc12.
What is the InChIKey of N-(2-aminoethyl)isoquinoline-4-sulfonamide?
The InChIKey is YWIUJWVWUWSCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-5-6-14-17(15,16)11-8-13-7-9-3-1-2-4-10(9)11/h1-4,7-8,14H,5-6,12H2.
What are the key properties of N-(2-aminoethyl)isoquinoline-4-sulfonamide?
N-(2-aminoethyl)isoquinoline-4-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)isoquinoline-4-sulfonamide is sourced from PubChem (CID 69049985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).