2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline

C14H21NO2S — CID 106778090

IUPAC2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(CCCS(C)(=O)=O)ccc2N1
InChIInChI=1S/C14H21NO2S/c1-11-5-7-13-10-12(6-8-14(13)15-11)4-3-9-18(2,16)17/h6,8,10-11,15H,3-5,7,9H2,1-2H3
InChIKeyOEQBAFMQGIPUOB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.41
Rot. Bonds4

About 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106778090) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106778090
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(CCCS(C)(=O)=O)ccc2N1
InChIInChI=1S/C14H21NO2S/c1-11-5-7-13-10-12(6-8-14(13)15-11)4-3-9-18(2,16)17/h6,8,10-11,15H,3-5,7,9H2,1-2H3
InChIKeyOEQBAFMQGIPUOB-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379430
6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379498
6-[2-(2-methoxyphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379417
2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105379418
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103131685
N,N,2-trimethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102567770
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106779904
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline (CID 106778090) is 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(CCCS(C)(=O)=O)ccc2N1.
What is the InChIKey of 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OEQBAFMQGIPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-5-7-13-10-12(6-8-14(13)15-11)4-3-9-18(2,16)17/h6,8,10-11,15H,3-5,7,9H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).