[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C16H22ClN3O2S — CID 119963849

IUPAC[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(CN)CC2)c2cccnc12.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-12-4-5-15(14-3-2-8-18-16(12)14)22(20,21)19-9-6-13(11-17)7-10-19;/h2-5,8,13H,6-7,9-11,17H2,1H3;1H
InChIKeyUBHXLBSUZYLBNL-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.32
Rot. Bonds3

About [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963849) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119963849
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(CN)CC2)c2cccnc12.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-12-4-5-15(14-3-2-8-18-16(12)14)22(20,21)19-9-6-13(11-17)7-10-19;/h2-5,8,13H,6-7,9-11,17H2,1H3;1H
InChIKeyUBHXLBSUZYLBNL-UHFFFAOYSA-N
XLogP2.32
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119963849) is [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(CN)CC2)c2cccnc12.Cl.
What is the InChIKey of [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is UBHXLBSUZYLBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-12-4-5-15(14-3-2-8-18-16(12)14)22(20,21)19-9-6-13(11-17)7-10-19;/h2-5,8,13H,6-7,9-11,17H2,1H3;1H.
What are the key properties of [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).