3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine

C13H20N2O2S — CID 82341251

IUPAC3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCc2cc(CCCN)ccc21
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)15-9-3-5-12-10-11(4-2-8-14)6-7-13(12)15/h6-7,10H,2-5,8-9,14H2,1H3
InChIKeyWLVGSJUZOGNEBE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.29
Rot. Bonds4

About 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine

3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine (PubChem CID 82341251) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
PubChem CID82341251
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCc2cc(CCCN)ccc21
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)15-9-3-5-12-10-11(4-2-8-14)6-7-13(12)15/h6-7,10H,2-5,8-9,14H2,1H3
InChIKeyWLVGSJUZOGNEBE-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 82341039
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 4-ethylbenzoate
CID 46810302
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
The IUPAC name of 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine (CID 82341251) is 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine is CS(=O)(=O)N1CCCc2cc(CCCN)ccc21.
What is the InChIKey of 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
The InChIKey is WLVGSJUZOGNEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)15-9-3-5-12-10-11(4-2-8-14)6-7-13(12)15/h6-7,10H,2-5,8-9,14H2,1H3.
What are the key properties of 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine has a molecular weight of 268.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine is sourced from PubChem (CID 82341251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).