1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine

C14H21BrN2O2S — CID 120710828

IUPAC1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C14H21BrN2O2S/c1-10-8-13(15)5-6-14(10)20(18,19)17-7-3-4-12(9-17)11(2)16/h5-6,8,11-12H,3-4,7,9,16H2,1-2H3
InChIKeyBWRZTVOBIYNULC-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.51
Rot. Bonds3

About 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine

1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 120710828) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID120710828
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C14H21BrN2O2S/c1-10-8-13(15)5-6-14(10)20(18,19)17-7-3-4-12(9-17)11(2)16/h5-6,8,11-12H,3-4,7,9,16H2,1-2H3
InChIKeyBWRZTVOBIYNULC-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(3S)-1-(5-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678246
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
1-[1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984212
1-[1-(2-bromo-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710836
1-[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984585
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
1-[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984491
3-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonyl-4-methylbenzonitrile
CID 124678146
(1S)-1-[(3S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124690297
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine (CID 120710828) is 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine is Cc1cc(Br)ccc1S(=O)(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is BWRZTVOBIYNULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-10-8-13(15)5-6-14(10)20(18,19)17-7-3-4-12(9-17)11(2)16/h5-6,8,11-12H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine?
1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 361.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 120710828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).