(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide

C18H24N2O3S — CID 124627758

IUPAC(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
SMILESCCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12
InChIInChI=1S/C18H24N2O3S/c1-3-10-23-17-6-4-5-15-16(7-8-19-18(15)17)20-9-11-24(21,22)13-14(2)12-20/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1
InChIKeyGPIIFHFJMDXGIF-CQSZACIVSA-N
MW348.47 g/mol
LogP2.89
Rot. Bonds4

About (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide

(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide (PubChem CID 124627758) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide.

Molecular Properties

Compound Name(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
PubChem CID124627758
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
SMILESCCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12
InChIInChI=1S/C18H24N2O3S/c1-3-10-23-17-6-4-5-15-16(7-8-19-18(15)17)20-9-11-24(21,22)13-14(2)12-20/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1
InChIKeyGPIIFHFJMDXGIF-CQSZACIVSA-N
XLogP2.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide with MolForge

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Related Compounds

N-(4-[4-[(6-Butyl-8-quinolinyl)oxy]-1-piperidinyl]butyl)ethanesulfonamide, dihydrochloride salt
CID 25164128
4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
6-Butyl-8-[1-(3-tert-butylsulfonylpropyl)piperidin-4-yl]oxyquinoline
CID 25190195
6-Butyl-8-[1-(3-propan-2-ylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137662184
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
8-Methoxyquinolin-4-amine
CID 16767485
8-Ethoxyquinoline
CID 73781
N-tert-butyl-3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propane-1-sulfonamide;dihydrochloride
CID 137632738
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]-N-methylethanesulfonamide;dihydrochloride
CID 137633326
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]propane-1-sulfonamide;dihydrochloride
CID 137634700
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]cyclohexanesulfonamide;dihydrochloride
CID 137643918
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]-2-methylpropane-1-sulfonamide;dihydrochloride
CID 137646948

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
The IUPAC name of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide (CID 124627758) is (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide.
What is the SMILES notation for (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
The canonical SMILES for (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide is CCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12.
What is the InChIKey of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
The InChIKey is GPIIFHFJMDXGIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-10-23-17-6-4-5-15-16(7-8-19-18(15)17)20-9-11-24(21,22)13-14(2)12-20/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide has a molecular weight of 348.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide is sourced from PubChem (CID 124627758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).