2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine

C20H28N2O2S — CID 59424750

IUPAC2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CS(=O)(=O)CCc2cccc3ccccc23)CC1
InChIInChI=1S/C20H28N2O2S/c21-12-8-17-9-13-22(14-10-17)16-25(23,24)15-11-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,17H,8-16,21H2
InChIKeyIXFVNFVMLQVZRH-UHFFFAOYSA-N
MW360.52 g/mol
LogP2.82
Rot. Bonds7

About 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine

2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine (PubChem CID 59424750) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine
PubChem CID59424750
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CS(=O)(=O)CCc2cccc3ccccc23)CC1
InChIInChI=1S/C20H28N2O2S/c21-12-8-17-9-13-22(14-10-17)16-25(23,24)15-11-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,17H,8-16,21H2
InChIKeyIXFVNFVMLQVZRH-UHFFFAOYSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine (CID 59424750) is 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine is NCCC1CCN(CS(=O)(=O)CCc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine?
The InChIKey is IXFVNFVMLQVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c21-12-8-17-9-13-22(14-10-17)16-25(23,24)15-11-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,17H,8-16,21H2.
What are the key properties of 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine?
2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine has a molecular weight of 360.52 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 59424750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).