1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride

C12H18BrClN2O3S — CID 119959359

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1Br.Cl
InChIInChI=1S/C12H17BrN2O3S.ClH/c1-18-12-3-2-10(8-11(12)13)19(16,17)15-6-4-9(14)5-7-15;/h2-3,8-9H,4-7,14H2,1H3;1H
InChIKeyJYJOSSYNDDIYGM-UHFFFAOYSA-N
MW385.71 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride

1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119959359) has the molecular formula C12H18BrClN2O3S and a molecular weight of 385.71 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119959359
Molecular FormulaC12H18BrClN2O3S
Molecular Weight385.71 g/mol
Exact Mass383.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1Br.Cl
InChIInChI=1S/C12H17BrN2O3S.ClH/c1-18-12-3-2-10(8-11(12)13)19(16,17)15-6-4-9(14)5-7-15;/h2-3,8-9H,4-7,14H2,1H3;1H
InChIKeyJYJOSSYNDDIYGM-UHFFFAOYSA-N
XLogP1.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
CID 61060166
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959404
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
CID 7574290
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959410

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119959359) is 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1Br.Cl.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is JYJOSSYNDDIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S.ClH/c1-18-12-3-2-10(8-11(12)13)19(16,17)15-6-4-9(14)5-7-15;/h2-3,8-9H,4-7,14H2,1H3;1H.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 385.71 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).