N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine

C13H20N2O2S — CID 54923585

IUPACN-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
SMILESCNC1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O2S/c1-14-11-7-9-15(10-8-11)12-5-3-4-6-13(12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZDJOAUXIRFISPT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.28
Rot. Bonds3

About N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine

N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine (PubChem CID 54923585) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
PubChem CID54923585
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
SMILESCNC1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O2S/c1-14-11-7-9-15(10-8-11)12-5-3-4-6-13(12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZDJOAUXIRFISPT-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-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 N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine (CID 54923585) is N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine is CNC1CCN(c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine?
The InChIKey is ZDJOAUXIRFISPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-11-7-9-15(10-8-11)12-5-3-4-6-13(12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine?
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine has a molecular weight of 268.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine is sourced from PubChem (CID 54923585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).