N-(2-aminoethyl)isoquinoline-8-sulfonamide

C11H13N3O2S — CID 14820604

IUPACN-(2-aminoethyl)isoquinoline-8-sulfonamide
SMILESNCCNS(=O)(=O)c1cccc2ccncc12
InChIInChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-4-6-13-8-10(9)11/h1-4,6,8,14H,5,7,12H2
InChIKeyQPNMAJFDZKCKTR-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.47
Rot. Bonds4

About N-(2-aminoethyl)isoquinoline-8-sulfonamide

N-(2-aminoethyl)isoquinoline-8-sulfonamide (PubChem CID 14820604) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-aminoethyl)isoquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)isoquinoline-8-sulfonamide
PubChem CID14820604
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(2-aminoethyl)isoquinoline-8-sulfonamide
SMILESNCCNS(=O)(=O)c1cccc2ccncc12
InChIInChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-4-6-13-8-10(9)11/h1-4,6,8,14H,5,7,12H2
InChIKeyQPNMAJFDZKCKTR-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-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-(2-aminoethyl)isoquinoline-4-sulfonamide
CID 69049985
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
N-(3-cyanopropyl)isoquinoline-5-sulfonamide
CID 55102562
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
N-[2-(2-chloroethoxy)ethyl]isoquinoline-5-sulfonamide
CID 65033740
N-hex-5-ynylisoquinoline-5-sulfonamide
CID 103756893
N-[2-(2-bromoethoxy)ethyl]isoquinoline-5-sulfonamide
CID 114295991
2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
CID 71132062

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)isoquinoline-8-sulfonamide?
The IUPAC name of N-(2-aminoethyl)isoquinoline-8-sulfonamide (CID 14820604) is N-(2-aminoethyl)isoquinoline-8-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)isoquinoline-8-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)isoquinoline-8-sulfonamide is NCCNS(=O)(=O)c1cccc2ccncc12.
What is the InChIKey of N-(2-aminoethyl)isoquinoline-8-sulfonamide?
The InChIKey is QPNMAJFDZKCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-4-6-13-8-10(9)11/h1-4,6,8,14H,5,7,12H2.
What are the key properties of N-(2-aminoethyl)isoquinoline-8-sulfonamide?
N-(2-aminoethyl)isoquinoline-8-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-8-sulfonamide is sourced from PubChem (CID 14820604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).