2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide

C12H15N5O3S — CID 43566345

IUPAC2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc2nc(NN)ccc2c1
InChIInChI=1S/C12H15N5O3S/c1-14-12(18)7-15-21(19,20)9-3-4-10-8(6-9)2-5-11(16-10)17-13/h2-6,15H,7,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyXMAIPHSAGWNMQI-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.46
Rot. Bonds5

About 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide

2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide (PubChem CID 43566345) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
PubChem CID43566345
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc2nc(NN)ccc2c1
InChIInChI=1S/C12H15N5O3S/c1-14-12(18)7-15-21(19,20)9-3-4-10-8(6-9)2-5-11(16-10)17-13/h2-6,15H,7,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyXMAIPHSAGWNMQI-UHFFFAOYSA-N
XLogP-0.46
TPSA126.21 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

2-hydrazinyl-N-(2-hydroxyethyl)-N-methylquinoline-6-sulfonamide
CID 60961716
2-hydrazinyl-N-pentan-2-ylquinoline-6-sulfonamide
CID 43456648
2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456658
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
CID 115408548
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
2-[(3-carbamothioylphenyl)sulfonylamino]-N-methylacetamide
CID 43310617
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
N-tert-butyl-2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 115356564
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 60630712
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide (CID 43566345) is 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc2nc(NN)ccc2c1.
What is the InChIKey of 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide?
The InChIKey is XMAIPHSAGWNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-14-12(18)7-15-21(19,20)9-3-4-10-8(6-9)2-5-11(16-10)17-13/h2-6,15H,7,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide?
2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide 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 2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43566345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).