2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide

C16H22N4O3S — CID 71132062

IUPAC2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)c1cccc2cnccc12)C(=O)CN
InChIInChI=1S/C16H22N4O3S/c1-2-9-20(16(21)11-17)10-8-19-24(22,23)15-5-3-4-13-12-18-7-6-14(13)15/h3-7,12,19H,2,8-11,17H2,1H3
InChIKeyRSXUENGDDVOQEK-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.71
Rot. Bonds8

About 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide

2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide (PubChem CID 71132062) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
PubChem CID71132062
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)c1cccc2cnccc12)C(=O)CN
InChIInChI=1S/C16H22N4O3S/c1-2-9-20(16(21)11-17)10-8-19-24(22,23)15-5-3-4-13-12-18-7-6-14(13)15/h3-7,12,19H,2,8-11,17H2,1H3
InChIKeyRSXUENGDDVOQEK-UHFFFAOYSA-N
XLogP0.71
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
N-(2-hydroxy-2-methylpentyl)isoquinoline-5-sulfonamide
CID 103835307
N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-[2-(2-bromoethoxy)ethyl]isoquinoline-5-sulfonamide
CID 114295991
N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326788
N-(3-aminopropyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326787
N-(2-aminoethyl)isoquinoline-8-sulfonamide
CID 14820604
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
N-(3-cyanopropyl)isoquinoline-5-sulfonamide
CID 55102562

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide?
The IUPAC name of 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide (CID 71132062) is 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide is CCCN(CCNS(=O)(=O)c1cccc2cnccc12)C(=O)CN.
What is the InChIKey of 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide?
The InChIKey is RSXUENGDDVOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-2-9-20(16(21)11-17)10-8-19-24(22,23)15-5-3-4-13-12-18-7-6-14(13)15/h3-7,12,19H,2,8-11,17H2,1H3.
What are the key properties of 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide?
2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide has a molecular weight of 350.44 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide is sourced from PubChem (CID 71132062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).