8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline

C13H19NO2S — CID 64591215

IUPAC8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc2c1N(S(=O)(=O)C(C)C)CCC2
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-5-8-12-7-4-6-11(3)13(12)14/h4,6-7,10H,5,8-9H2,1-3H3
InChIKeyYZCOVRAVUDBLJZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds2

About 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline

8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 64591215) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID64591215
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc2c1N(S(=O)(=O)C(C)C)CCC2
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-5-8-12-7-4-6-11(3)13(12)14/h4,6-7,10H,5,8-9H2,1-3H3
InChIKeyYZCOVRAVUDBLJZ-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethylsulfonyl)-8-methyl-3,4-dihydro-2H-quinoline
CID 83084250
4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
CID 61105845
1-(4-chlorobutylsulfonyl)-8-methyl-3,4-dihydro-2H-quinoline
CID 116815081
2-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]propanoic acid
CID 61457991
1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60858133
8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 58777927
7-methyl-1-(2-methylpropyl)-2,3-dihydroindole
CID 174365784
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 55234624
8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 127336057
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline (CID 64591215) is 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline is Cc1cccc2c1N(S(=O)(=O)C(C)C)CCC2.
What is the InChIKey of 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is YZCOVRAVUDBLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-5-8-12-7-4-6-11(3)13(12)14/h4,6-7,10H,5,8-9H2,1-3H3.
What are the key properties of 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 253.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 64591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).