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

C18H24N2O2S — CID 59424723

IUPAC2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H24N2O2S/c19-11-8-15-9-12-20(13-10-15)14-23(21,22)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,15H,8-14,19H2
InChIKeyVGLMOJJSTGQUKT-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.63
Rot. Bonds5

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

2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine (PubChem CID 59424723) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine
PubChem CID59424723
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H24N2O2S/c19-11-8-15-9-12-20(13-10-15)14-23(21,22)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,15H,8-14,19H2
InChIKeyVGLMOJJSTGQUKT-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine (CID 59424723) is 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine is NCCC1CCN(CS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine?
The InChIKey is VGLMOJJSTGQUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c19-11-8-15-9-12-20(13-10-15)14-23(21,22)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,15H,8-14,19H2.
What are the key properties of 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine?
2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine has a molecular weight of 332.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-1-ylsulfonylmethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 59424723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).