1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine

C16H21N3O2S — CID 119974617

IUPAC1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C16H21N3O2S/c1-12(17)13-7-10-19(11-8-13)22(20,21)15-6-2-4-14-5-3-9-18-16(14)15/h2-6,9,12-13H,7-8,10-11,17H2,1H3
InChIKeySVTKIEWULAOERO-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.98
Rot. Bonds3

About 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine

1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 119974617) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
PubChem CID119974617
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C16H21N3O2S/c1-12(17)13-7-10-19(11-8-13)22(20,21)15-6-2-4-14-5-3-9-18-16(14)15/h2-6,9,12-13H,7-8,10-11,17H2,1H3
InChIKeySVTKIEWULAOERO-UHFFFAOYSA-N
XLogP1.98
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-piperidin-1-ylsulfonylquinoline
CID 768759
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974697
N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
CID 126890465
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine (CID 119974617) is 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine is CC(N)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is SVTKIEWULAOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(17)13-7-10-19(11-8-13)22(20,21)15-6-2-4-14-5-3-9-18-16(14)15/h2-6,9,12-13H,7-8,10-11,17H2,1H3.
What are the key properties of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine?
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 319.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 119974617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).