N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide

C13H15N5O2S — CID 43456727

IUPACN-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccc2nc(NN)ccc2c1
InChIInChI=1S/C13H15N5O2S/c1-18(8-2-7-14)21(19,20)11-4-5-12-10(9-11)3-6-13(16-12)17-15/h3-6,9H,2,8,15H2,1H3,(H,16,17)
InChIKeyHHIZNHSJZONBIJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.05
Rot. Bonds5

About N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide

N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide (PubChem CID 43456727) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide
PubChem CID43456727
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccc2nc(NN)ccc2c1
InChIInChI=1S/C13H15N5O2S/c1-18(8-2-7-14)21(19,20)11-4-5-12-10(9-11)3-6-13(16-12)17-15/h3-6,9H,2,8,15H2,1H3,(H,16,17)
InChIKeyHHIZNHSJZONBIJ-UHFFFAOYSA-N
XLogP1.05
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
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

2-hydrazinyl-N-(2-hydroxyethyl)-N-methylquinoline-6-sulfonamide
CID 60961716
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
4-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 39371978
2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
CID 61003109
N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
CID 62145303
2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
CID 43566345
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
2-hydrazinyl-N-pentan-2-ylquinoline-6-sulfonamide
CID 43456648
2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456658
2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide
CID 62152213
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
CID 62891363

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide (CID 43456727) is N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide is CN(CCC#N)S(=O)(=O)c1ccc2nc(NN)ccc2c1.
What is the InChIKey of N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide?
The InChIKey is HHIZNHSJZONBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-18(8-2-7-14)21(19,20)11-4-5-12-10(9-11)3-6-13(16-12)17-15/h3-6,9H,2,8,15H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide?
N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide is sourced from PubChem (CID 43456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).