3-methyl-1-naphthalen-2-ylsulfonylpiperidine

C16H19NO2S — CID 2897266

IUPAC3-methyl-1-naphthalen-2-ylsulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H19NO2S/c1-13-5-4-10-17(12-13)20(18,19)16-9-8-14-6-2-3-7-15(14)11-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyFICTUUJPSPODIG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.26
Rot. Bonds2

About 3-methyl-1-naphthalen-2-ylsulfonylpiperidine

3-methyl-1-naphthalen-2-ylsulfonylpiperidine (PubChem CID 2897266) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-methyl-1-naphthalen-2-ylsulfonylpiperidine
PubChem CID2897266
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-methyl-1-naphthalen-2-ylsulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H19NO2S/c1-13-5-4-10-17(12-13)20(18,19)16-9-8-14-6-2-3-7-15(14)11-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyFICTUUJPSPODIG-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 3-methyl-1-naphthalen-2-ylsulfonylpiperidine?
The IUPAC name of 3-methyl-1-naphthalen-2-ylsulfonylpiperidine (CID 2897266) is 3-methyl-1-naphthalen-2-ylsulfonylpiperidine.
What is the SMILES notation for 3-methyl-1-naphthalen-2-ylsulfonylpiperidine?
The canonical SMILES for 3-methyl-1-naphthalen-2-ylsulfonylpiperidine is CC1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-methyl-1-naphthalen-2-ylsulfonylpiperidine?
The InChIKey is FICTUUJPSPODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-5-4-10-17(12-13)20(18,19)16-9-8-14-6-2-3-7-15(14)11-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3.
What are the key properties of 3-methyl-1-naphthalen-2-ylsulfonylpiperidine?
3-methyl-1-naphthalen-2-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 3-methyl-1-naphthalen-2-ylsulfonylpiperidine is sourced from PubChem (CID 2897266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).