1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone

C19H24N2OS — CID 860340

IUPAC1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
SMILESCC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2cc1C
InChIInChI=1S/C19H24N2OS/c1-3-16-9-6-7-11-21(16)18(22)13-23-19-14(2)12-15-8-4-5-10-17(15)20-19/h4-5,8,10,12,16H,3,6-7,9,11,13H2,1-2H3/t16-/m0/s1
InChIKeyMXUYIWJEBYHVLR-INIZCTEOSA-N
MW328.48 g/mol
LogP4.43
Rot. Bonds4

About 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone

1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone (PubChem CID 860340) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
PubChem CID860340
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
SMILESCC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2cc1C
InChIInChI=1S/C19H24N2OS/c1-3-16-9-6-7-11-21(16)18(22)13-23-19-14(2)12-15-8-4-5-10-17(15)20-19/h4-5,8,10,12,16H,3,6-7,9,11,13H2,1-2H3/t16-/m0/s1
InChIKeyMXUYIWJEBYHVLR-INIZCTEOSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone
CID 6551514
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
1-[(2R)-2-ethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915631
1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 51916299
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 1432571
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 40663109
1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone
CID 51119073
1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone
CID 7296351
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 18266570
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone?
The IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone (CID 860340) is 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone?
The canonical SMILES for 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone is CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2cc1C.
What is the InChIKey of 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone?
The InChIKey is MXUYIWJEBYHVLR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-16-9-6-7-11-21(16)18(22)13-23-19-14(2)12-15-8-4-5-10-17(15)20-19/h4-5,8,10,12,16H,3,6-7,9,11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone?
1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone has a molecular weight of 328.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone is sourced from PubChem (CID 860340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).