(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine

C14H21BrN2O2S — CID 125420055

IUPAC(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c(C)cc1Br
InChIInChI=1S/C14H21BrN2O2S/c1-9-7-14(10(2)6-13(9)15)20(18,19)17-5-4-12(16)8-11(17)3/h6-7,11-12H,4-5,8,16H2,1-3H3/t11-,12+/m1/s1
InChIKeyDWUBLGRGGIMOTK-NEPJUHHUSA-N
MW361.31 g/mol
LogP2.57
Rot. Bonds2

About (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine

(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine (PubChem CID 125420055) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine
PubChem CID125420055
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c(C)cc1Br
InChIInChI=1S/C14H21BrN2O2S/c1-9-7-14(10(2)6-13(9)15)20(18,19)17-5-4-12(16)8-11(17)3/h6-7,11-12H,4-5,8,16H2,1-3H3/t11-,12+/m1/s1
InChIKeyDWUBLGRGGIMOTK-NEPJUHHUSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312528
1-(4-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312471
(2R,4S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-2-methylpiperidin-4-amine
CID 124692066
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 103829091
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312553
(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine
CID 100641176
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
methyl 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-5-bromothiophene-2-carboxylate
CID 115312587
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115312594
(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine
CID 124692060
[1-(4-bromo-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971817

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine?
The IUPAC name of (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine (CID 125420055) is (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine?
The canonical SMILES for (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c(C)cc1Br.
What is the InChIKey of (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine?
The InChIKey is DWUBLGRGGIMOTK-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9-7-14(10(2)6-13(9)15)20(18,19)17-5-4-12(16)8-11(17)3/h6-7,11-12H,4-5,8,16H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine?
(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine has a molecular weight of 361.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 125420055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).