1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine

C12H18N2O2S — CID 54881503

IUPAC1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESCS(=O)(=O)CCN1CCCc2c(N)cccc21
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)9-8-14-7-3-4-10-11(13)5-2-6-12(10)14/h2,5-6H,3-4,7-9,13H2,1H3
InChIKeyBDIYZYGZMLJYTE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine

1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 54881503) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
PubChem CID54881503
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESCS(=O)(=O)CCN1CCCc2c(N)cccc21
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)9-8-14-7-3-4-10-11(13)5-2-6-12(10)14/h2,5-6H,3-4,7-9,13H2,1H3
InChIKeyBDIYZYGZMLJYTE-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
CID 106725995
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61491630
1-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-ol
CID 65212762
2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489284
1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
CID 83852967
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine (CID 54881503) is 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine is CS(=O)(=O)CCN1CCCc2c(N)cccc21.
What is the InChIKey of 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is BDIYZYGZMLJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)9-8-14-7-3-4-10-11(13)5-2-6-12(10)14/h2,5-6H,3-4,7-9,13H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine?
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 254.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 54881503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).