1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine

C14H22N2O2S — CID 102661429

IUPAC1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCS(=O)(=O)N1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C14H22N2O2S/c1-3-9-19(17,18)16-8-4-5-13-10-12(11(2)15)6-7-14(13)16/h6-7,10-11H,3-5,8-9,15H2,1-2H3
InChIKeyPKKZAOOLKJACRD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.20
Rot. Bonds4

About 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine

1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (PubChem CID 102661429) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
PubChem CID102661429
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCS(=O)(=O)N1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C14H22N2O2S/c1-3-9-19(17,18)16-8-4-5-13-10-12(11(2)15)6-7-14(13)16/h6-7,10-11H,3-5,8-9,15H2,1-2H3
InChIKeyPKKZAOOLKJACRD-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661427
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661285
5-(1-aminoethyl)-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 102661293
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The IUPAC name of 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (CID 102661429) is 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.
What is the SMILES notation for 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The canonical SMILES for 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is CCCS(=O)(=O)N1CCCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The InChIKey is PKKZAOOLKJACRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-9-19(17,18)16-8-4-5-13-10-12(11(2)15)6-7-14(13)16/h6-7,10-11H,3-5,8-9,15H2,1-2H3.
What are the key properties of 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine has a molecular weight of 282.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is sourced from PubChem (CID 102661429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).