3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride

C18H26ClN3O3S — CID 119992673

IUPAC3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)c2cccnc12.Cl
InChIInChI=1S/C18H25N3O3S.ClH/c1-14-5-6-17(16-4-2-10-20-18(14)16)25(22,23)21-11-7-15(8-12-21)24-13-3-9-19;/h2,4-6,10,15H,3,7-9,11-13,19H2,1H3;1H
InChIKeyOCBSIJXWJQVTQF-UHFFFAOYSA-N
MW399.94 g/mol
LogP2.48
Rot. Bonds6

About 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride

3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride (PubChem CID 119992673) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
PubChem CID119992673
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC Name3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)c2cccnc12.Cl
InChIInChI=1S/C18H25N3O3S.ClH/c1-14-5-6-17(16-4-2-10-20-18(14)16)25(22,23)21-11-7-15(8-12-21)24-13-3-9-19;/h2,4-6,10,15H,3,7-9,11-13,19H2,1H3;1H
InChIKeyOCBSIJXWJQVTQF-UHFFFAOYSA-N
XLogP2.48
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992878
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992794
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992733
3-[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992677
5-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]-1H-pyrazol-4-amine
CID 167964581
3-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712468
3-[1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 120712427
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
3-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992755

Frequently Asked Questions

What is the IUPAC name of 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride?
The IUPAC name of 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride (CID 119992673) is 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)c2cccnc12.Cl.
What is the InChIKey of 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride?
The InChIKey is OCBSIJXWJQVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S.ClH/c1-14-5-6-17(16-4-2-10-20-18(14)16)25(22,23)21-11-7-15(8-12-21)24-13-3-9-19;/h2,4-6,10,15H,3,7-9,11-13,19H2,1H3;1H.
What are the key properties of 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride?
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride has a molecular weight of 399.94 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride is sourced from PubChem (CID 119992673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).