N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C12H16N2O4S — CID 77033494

IUPACN-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCOCCS(=O)(=O)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C12H16N2O4S/c1-18-8-9-19(16,17)14-7-6-11(13-15)10-4-2-3-5-12(10)14/h2-5,15H,6-9H2,1H3
InChIKeyOXTOGDPGRNWUNY-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.05
Rot. Bonds4

About N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033494) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033494
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCOCCS(=O)(=O)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C12H16N2O4S/c1-18-8-9-19(16,17)14-7-6-11(13-15)10-4-2-3-5-12(10)14/h2-5,15H,6-9H2,1H3
InChIKeyOXTOGDPGRNWUNY-UHFFFAOYSA-N
XLogP1.05
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033494) is N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is COCCS(=O)(=O)N1CCC(=NO)c2ccccc21.
What is the InChIKey of N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is OXTOGDPGRNWUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-8-9-19(16,17)14-7-6-11(13-15)10-4-2-3-5-12(10)14/h2-5,15H,6-9H2,1H3.
What are the key properties of N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 284.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).