4-methyl-1-naphthalen-1-ylsulfonylpiperidine

C16H19NO2S — CID 683227

IUPAC4-methyl-1-naphthalen-1-ylsulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C16H19NO2S/c1-13-9-11-17(12-10-13)20(18,19)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3
InChIKeyLXQAXSGGRZVXDU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.26
Rot. Bonds2

About 4-methyl-1-naphthalen-1-ylsulfonylpiperidine

4-methyl-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 683227) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID683227
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-methyl-1-naphthalen-1-ylsulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C16H19NO2S/c1-13-9-11-17(12-10-13)20(18,19)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3
InChIKeyLXQAXSGGRZVXDU-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of 4-methyl-1-naphthalen-1-ylsulfonylpiperidine (CID 683227) is 4-methyl-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for 4-methyl-1-naphthalen-1-ylsulfonylpiperidine is CC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is LXQAXSGGRZVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-9-11-17(12-10-13)20(18,19)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-methyl-1-naphthalen-1-ylsulfonylpiperidine?
4-methyl-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 289.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 683227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).