N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide

C14H19N3O2S — CID 61348594

IUPACN-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3
InChIKeyKYMSHJLROPBLLU-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.59
Rot. Bonds6

About N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide

N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide (PubChem CID 61348594) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide
PubChem CID61348594
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3
InChIKeyKYMSHJLROPBLLU-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide (CID 61348594) is N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide is CCCN(CCN)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide?
The InChIKey is KYMSHJLROPBLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide?
N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propylisoquinoline-5-sulfonamide is sourced from PubChem (CID 61348594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).