2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide

C14H23N3O2S — CID 114384644

IUPAC2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
SMILESCCCNC1CCN(CCS(N)(=O)=O)c2ccccc21
InChIInChI=1S/C14H23N3O2S/c1-2-8-16-13-7-9-17(10-11-20(15,18)19)14-6-4-3-5-12(13)14/h3-6,13,16H,2,7-11H2,1H3,(H2,15,18,19)
InChIKeyAMJCZXVIRQQHDD-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.23
Rot. Bonds6

About 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide

2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide (PubChem CID 114384644) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
PubChem CID114384644
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
SMILESCCCNC1CCN(CCS(N)(=O)=O)c2ccccc21
InChIInChI=1S/C14H23N3O2S/c1-2-8-16-13-7-9-17(10-11-20(15,18)19)14-6-4-3-5-12(13)14/h3-6,13,16H,2,7-11H2,1H3,(H2,15,18,19)
InChIKeyAMJCZXVIRQQHDD-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524576
1-(3-methoxy-3-methylbutyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 103032467
1-[(E)-3-chloroprop-2-enyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 107899395
1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 64990279
5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464
1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114524582
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 106449014
2-cyclobutyl-1-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 103161311
N-ethyl-1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 104646717
2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide
CID 114336473
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine
CID 65159657

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide (CID 114384644) is 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide is CCCNC1CCN(CCS(N)(=O)=O)c2ccccc21.
What is the InChIKey of 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide?
The InChIKey is AMJCZXVIRQQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-8-16-13-7-9-17(10-11-20(15,18)19)14-6-4-3-5-12(13)14/h3-6,13,16H,2,7-11H2,1H3,(H2,15,18,19).
What are the key properties of 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide?
2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide is sourced from PubChem (CID 114384644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).