N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine

C11H10N2OS — CID 3770998

IUPACN-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine
SMILESCSc1nc2ccccc2cc1C=NO
InChIInChI=1S/C11H10N2OS/c1-15-11-9(7-12-14)6-8-4-2-3-5-10(8)13-11/h2-7,14H,1H3
InChIKeyJOAXXKUJFTYTGF-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.76
Rot. Bonds2

About N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine

N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine (PubChem CID 3770998) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine
PubChem CID3770998
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC NameN-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine
SMILESCSc1nc2ccccc2cc1C=NO
InChIInChI=1S/C11H10N2OS/c1-15-11-9(7-12-14)6-8-4-2-3-5-10(8)13-11/h2-7,14H,1H3
InChIKeyJOAXXKUJFTYTGF-UHFFFAOYSA-N
XLogP2.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine (CID 3770998) is N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine is CSc1nc2ccccc2cc1C=NO.
What is the InChIKey of N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine?
The InChIKey is JOAXXKUJFTYTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-15-11-9(7-12-14)6-8-4-2-3-5-10(8)13-11/h2-7,14H,1H3.
What are the key properties of N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine?
N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine has a molecular weight of 218.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 3770998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).