8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine

C13H16N2O2S — CID 61286603

IUPAC8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine
SMILESCOCCS(=O)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-17-7-8-18(16)9-10-4-5-12(14)11-3-2-6-15-13(10)11/h2-6H,7-9,14H2,1H3
InChIKeyUBDXRLRIIWZMSK-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.71
Rot. Bonds5

About 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine

8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine (PubChem CID 61286603) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine.

Molecular Properties

Compound Name8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine
PubChem CID61286603
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine
SMILESCOCCS(=O)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-17-7-8-18(16)9-10-4-5-12(14)11-3-2-6-15-13(10)11/h2-6H,7-9,14H2,1H3
InChIKeyUBDXRLRIIWZMSK-UHFFFAOYSA-N
XLogP1.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine?
The IUPAC name of 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine (CID 61286603) is 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine.
What is the SMILES notation for 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine?
The canonical SMILES for 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine is COCCS(=O)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine?
The InChIKey is UBDXRLRIIWZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-7-8-18(16)9-10-4-5-12(14)11-3-2-6-15-13(10)11/h2-6H,7-9,14H2,1H3.
What are the key properties of 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine?
8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine has a molecular weight of 264.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine is sourced from PubChem (CID 61286603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).