2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride

C15H24BrClN2O3S — CID 120718293

IUPAC2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-17-8-5-12-6-9-18(10-7-12)22(19,20)15-11-13(16)3-4-14(15)21-2;/h3-4,11-12,17H,5-10H2,1-2H3;1H
InChIKeyQNXPHPZPLFALPF-UHFFFAOYSA-N
MW427.79 g/mol
LogP2.89
Rot. Bonds6

About 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120718293) has the molecular formula C15H24BrClN2O3S and a molecular weight of 427.79 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120718293
Molecular FormulaC15H24BrClN2O3S
Molecular Weight427.79 g/mol
Exact Mass426.04
IUPAC Name2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-17-8-5-12-6-9-18(10-7-12)22(19,20)15-11-13(16)3-4-14(15)21-2;/h3-4,11-12,17H,5-10H2,1-2H3;1H
InChIKeyQNXPHPZPLFALPF-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979931
1-[1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977607
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727155
(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 51728032
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718475
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120718293) is 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1.Cl.
What is the InChIKey of 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is QNXPHPZPLFALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S.ClH/c1-17-8-5-12-6-9-18(10-7-12)22(19,20)15-11-13(16)3-4-14(15)21-2;/h3-4,11-12,17H,5-10H2,1-2H3;1H.
What are the key properties of 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 427.79 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120718293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).