2-methyl-1-naphthalen-2-ylsulfonylpiperidine

C16H19NO2S — CID 3745150

IUPAC2-methyl-1-naphthalen-2-ylsulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2S/c1-13-6-4-5-11-17(13)20(18,19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKeyOOOQEIVNFBBALE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.40
Rot. Bonds2

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

2-methyl-1-naphthalen-2-ylsulfonylpiperidine (PubChem CID 3745150) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-1-naphthalen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-naphthalen-2-ylsulfonylpiperidine
PubChem CID3745150
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methyl-1-naphthalen-2-ylsulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2S/c1-13-6-4-5-11-17(13)20(18,19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKeyOOOQEIVNFBBALE-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3267062
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92887015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-naphthalen-2-ylsulfonylpiperidine?
The IUPAC name of 2-methyl-1-naphthalen-2-ylsulfonylpiperidine (CID 3745150) is 2-methyl-1-naphthalen-2-ylsulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-naphthalen-2-ylsulfonylpiperidine?
The canonical SMILES for 2-methyl-1-naphthalen-2-ylsulfonylpiperidine is CC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-naphthalen-2-ylsulfonylpiperidine?
The InChIKey is OOOQEIVNFBBALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-6-4-5-11-17(13)20(18,19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12-13H,4-6,11H2,1H3.
What are the key properties of 2-methyl-1-naphthalen-2-ylsulfonylpiperidine?
2-methyl-1-naphthalen-2-ylsulfonylpiperidine has a molecular weight of 289.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-naphthalen-2-ylsulfonylpiperidine is sourced from PubChem (CID 3745150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).