1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride

C12H18BrClN2O2S — CID 120705990

IUPAC1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-7-10(13)4-5-12(9)18(16,17)15-6-2-3-11(14)8-15;/h4-5,7,11H,2-3,6,8,14H2,1H3;1H
InChIKeyUWZSQIDCCHNJOK-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120705990) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120705990
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-7-10(13)4-5-12(9)18(16,17)15-6-2-3-11(14)8-15;/h4-5,7,11H,2-3,6,8,14H2,1H3;1H
InChIKeyUWZSQIDCCHNJOK-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-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710828
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471
5-(3-aminopiperidin-1-yl)sulfonyl-2,4-dimethylbenzoic acid
CID 61404039
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073
1-(4-bromo-2-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710377
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120705990) is 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride is Cc1cc(Br)ccc1S(=O)(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is UWZSQIDCCHNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c1-9-7-10(13)4-5-12(9)18(16,17)15-6-2-3-11(14)8-15;/h4-5,7,11H,2-3,6,8,14H2,1H3;1H.
What are the key properties of 1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(4-bromo-2-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-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120705990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).