1-(4-bromophenyl)sulfonylpiperidin-3-amine

C11H15BrN2O2S — CID 43189425

IUPAC1-(4-bromophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-7-1-2-10(13)8-14/h3-6,10H,1-2,7-8,13H2
InChIKeyNYRZHXXSNBLHEM-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.56
Rot. Bonds2

About 1-(4-bromophenyl)sulfonylpiperidin-3-amine

1-(4-bromophenyl)sulfonylpiperidin-3-amine (PubChem CID 43189425) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpiperidin-3-amine
PubChem CID43189425
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name1-(4-bromophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-7-1-2-10(13)8-14/h3-6,10H,1-2,7-8,13H2
InChIKeyNYRZHXXSNBLHEM-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)sulfonylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(4-bromophenyl)sulfonylpiperidin-3-amine (CID 43189425) is 1-(4-bromophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpiperidin-3-amine is NC1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpiperidin-3-amine?
The InChIKey is NYRZHXXSNBLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-7-1-2-10(13)8-14/h3-6,10H,1-2,7-8,13H2.
What are the key properties of 1-(4-bromophenyl)sulfonylpiperidin-3-amine?
1-(4-bromophenyl)sulfonylpiperidin-3-amine has a molecular weight of 319.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 43189425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).