1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide

C12H15N5O3S — CID 62243238

IUPAC1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc12
InChIInChI=1S/C12H15N5O3S/c13-17-11-9-4-2-1-3-8(9)7-10(16-11)12(18)15-5-6-21(14,19)20/h1-4,7H,5-6,13H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyGGVMDJCVGHAHCT-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.46
Rot. Bonds5

About 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide

1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide (PubChem CID 62243238) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
PubChem CID62243238
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc12
InChIInChI=1S/C12H15N5O3S/c13-17-11-9-4-2-1-3-8(9)7-10(16-11)12(18)15-5-6-21(14,19)20/h1-4,7H,5-6,13H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyGGVMDJCVGHAHCT-UHFFFAOYSA-N
XLogP-0.46
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
CID 81178122
N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide (CID 62243238) is 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide is NNc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
The InChIKey is GGVMDJCVGHAHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c13-17-11-9-4-2-1-3-8(9)7-10(16-11)12(18)15-5-6-21(14,19)20/h1-4,7H,5-6,13H2,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide?
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 62243238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).