6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

C15H20N2O2S — CID 106315307

IUPAC6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1=CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C15H20N2O2S/c1-12-4-3-9-17(11-12)20(18,19)14-6-7-15-13(10-14)5-2-8-16-15/h4,6-7,10,16H,2-3,5,8-9,11H2,1H3
InChIKeyLUHKNZBNOMKJOY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.39
Rot. Bonds2

About 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106315307) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106315307
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1=CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C15H20N2O2S/c1-12-4-3-9-17(11-12)20(18,19)14-6-7-15-13(10-14)5-2-8-16-15/h4,6-7,10,16H,2-3,5,8-9,11H2,1H3
InChIKeyLUHKNZBNOMKJOY-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43119875
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
1-[7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 100637360
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114172233
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 79181143

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline (CID 106315307) is 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline is CC1=CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3)C1.
What is the InChIKey of 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LUHKNZBNOMKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-4-3-9-17(11-12)20(18,19)14-6-7-15-13(10-14)5-2-8-16-15/h4,6-7,10,16H,2-3,5,8-9,11H2,1H3.
What are the key properties of 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 292.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106315307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).