(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone

C17H20N2OS — CID 157384035

IUPAC(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C17H20N2OS/c1-2-12-6-3-4-11-19(12)17(20)14-8-9-15(21)16-13(14)7-5-10-18-16/h5,7-10,12,21H,2-4,6,11H2,1H3
InChIKeyBLFHHYUAGRLHQV-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.93
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone

(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone (PubChem CID 157384035) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
PubChem CID157384035
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C17H20N2OS/c1-2-12-6-3-4-11-19(12)17(20)14-8-9-15(21)16-13(14)7-5-10-18-16/h5,7-10,12,21H,2-4,6,11H2,1H3
InChIKeyBLFHHYUAGRLHQV-UHFFFAOYSA-N
XLogP3.93
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate
CID 2929651
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
[2-(chloromethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639082
[2-(bromomethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639426

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone (CID 157384035) is (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone is CCC1CCCCN1C(=O)c1ccc(S)c2ncccc12.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone?
The InChIKey is BLFHHYUAGRLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-12-6-3-4-11-19(12)17(20)14-8-9-15(21)16-13(14)7-5-10-18-16/h5,7-10,12,21H,2-4,6,11H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone?
(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone has a molecular weight of 300.43 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone is sourced from PubChem (CID 157384035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).