1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride

C12H18BrClN2O2S — CID 119959471

IUPAC1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCCC(N)C2)c1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-4-2-6-11(12(9)13)18(16,17)15-7-3-5-10(14)8-15;/h2,4,6,10H,3,5,7-8,14H2,1H3;1H
InChIKeyWJQJAQNUPTVKHI-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.29
Rot. Bonds2

About 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959471) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959471
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCCC(N)C2)c1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-4-2-6-11(12(9)13)18(16,17)15-7-3-5-10(14)8-15;/h2,4,6,10H,3,5,7-8,14H2,1H3;1H
InChIKeyWJQJAQNUPTVKHI-UHFFFAOYSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984212
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706058
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
(3S,4R)-1-(2-bromo-3-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767178
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 119959471) is 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride is Cc1cccc(S(=O)(=O)N2CCCC(N)C2)c1Br.Cl.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is WJQJAQNUPTVKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c1-9-4-2-6-11(12(9)13)18(16,17)15-7-3-5-10(14)8-15;/h2,4,6,10H,3,5,7-8,14H2,1H3;1H.
What are the key properties of 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).