1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine

C12H17BrN2O2S — CID 79994044

IUPAC1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H17BrN2O2S/c1-9-6-11(14)8-15(7-9)18(16,17)12-4-2-10(13)3-5-12/h2-5,9,11H,6-8,14H2,1H3
InChIKeyXDWTUAFHZXKSJQ-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.81
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine

1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine (PubChem CID 79994044) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine
PubChem CID79994044
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H17BrN2O2S/c1-9-6-11(14)8-15(7-9)18(16,17)12-4-2-10(13)3-5-12/h2-5,9,11H,6-8,14H2,1H3
InChIKeyXDWTUAFHZXKSJQ-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine 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

5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine
CID 79994455
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
2-(4-bromophenoxy)ethyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 4692166
[1-(4-bromophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582271
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine
CID 121164715

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine (CID 79994044) is 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine is CC1CC(N)CN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine?
The InChIKey is XDWTUAFHZXKSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-9-6-11(14)8-15(7-9)18(16,17)12-4-2-10(13)3-5-12/h2-5,9,11H,6-8,14H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine?
1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine has a molecular weight of 333.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).