N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride

C17H24ClN3O2S — CID 119990230

IUPACN-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-2-18-13-14-8-11-20(12-9-14)23(21,22)16-7-3-5-15-6-4-10-19-17(15)16;/h3-7,10,14,18H,2,8-9,11-13H2,1H3;1H
InChIKeyNMWTXONBJCSFOQ-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.67
Rot. Bonds5

About N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride

N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride (PubChem CID 119990230) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
PubChem CID119990230
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-2-18-13-14-8-11-20(12-9-14)23(21,22)16-7-3-5-15-6-4-10-19-17(15)16;/h3-7,10,14,18H,2,8-9,11-13H2,1H3;1H
InChIKeyNMWTXONBJCSFOQ-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
N-[[1-(5-nitroquinolin-8-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120711965
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
8-piperidin-1-ylsulfonylquinoline
CID 768759

Frequently Asked Questions

What is the IUPAC name of N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride (CID 119990230) is N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride is CCNCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.Cl.
What is the InChIKey of N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
The InChIKey is NMWTXONBJCSFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-2-18-13-14-8-11-20(12-9-14)23(21,22)16-7-3-5-15-6-4-10-19-17(15)16;/h3-7,10,14,18H,2,8-9,11-13H2,1H3;1H.
What are the key properties of N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride?
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119990230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).