N-(3-nitroquinolin-4-yl)methanesulfinamide

C10H9N3O3S — CID 164871225

IUPACN-(3-nitroquinolin-4-yl)methanesulfinamide
SMILESCS(=O)Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C10H9N3O3S/c1-17(16)12-10-7-4-2-3-5-8(7)11-6-9(10)13(14)15/h2-6H,1H3,(H,11,12)
InChIKeyKGFZKWDBKCYWGE-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.85
Rot. Bonds3

About N-(3-nitroquinolin-4-yl)methanesulfinamide

N-(3-nitroquinolin-4-yl)methanesulfinamide (PubChem CID 164871225) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(3-nitroquinolin-4-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-nitroquinolin-4-yl)methanesulfinamide
PubChem CID164871225
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC NameN-(3-nitroquinolin-4-yl)methanesulfinamide
SMILESCS(=O)Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C10H9N3O3S/c1-17(16)12-10-7-4-2-3-5-8(7)11-6-9(10)13(14)15/h2-6H,1H3,(H,11,12)
InChIKeyKGFZKWDBKCYWGE-UHFFFAOYSA-N
XLogP1.85
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
3-nitro-N-[1-(trifluoromethyl)cyclopropyl]quinolin-4-amine
CID 106214705
N-(1-methoxypropyl)-3-nitroquinolin-4-amine
CID 67837777
4-chloro-3-nitroquinoline;ethane
CID 90799881
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097

Frequently Asked Questions

What is the IUPAC name of N-(3-nitroquinolin-4-yl)methanesulfinamide?
The IUPAC name of N-(3-nitroquinolin-4-yl)methanesulfinamide (CID 164871225) is N-(3-nitroquinolin-4-yl)methanesulfinamide.
What is the SMILES notation for N-(3-nitroquinolin-4-yl)methanesulfinamide?
The canonical SMILES for N-(3-nitroquinolin-4-yl)methanesulfinamide is CS(=O)Nc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of N-(3-nitroquinolin-4-yl)methanesulfinamide?
The InChIKey is KGFZKWDBKCYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-17(16)12-10-7-4-2-3-5-8(7)11-6-9(10)13(14)15/h2-6H,1H3,(H,11,12).
What are the key properties of N-(3-nitroquinolin-4-yl)methanesulfinamide?
N-(3-nitroquinolin-4-yl)methanesulfinamide has a molecular weight of 251.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitroquinolin-4-yl)methanesulfinamide is sourced from PubChem (CID 164871225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).