3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine

C19H25NO2S — CID 4565979

IUPAC3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine
SMILESCC1CCCN(C(C)CS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H25NO2S/c1-15-6-5-11-20(13-15)16(2)14-23(21,22)19-10-9-17-7-3-4-8-18(17)12-19/h3-4,7-10,12,15-16H,5-6,11,13-14H2,1-2H3
InChIKeyAPQVXJNBJOYYKX-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.73
Rot. Bonds4

About 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine

3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine (PubChem CID 4565979) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine
PubChem CID4565979
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine
SMILESCC1CCCN(C(C)CS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H25NO2S/c1-15-6-5-11-20(13-15)16(2)14-23(21,22)19-10-9-17-7-3-4-8-18(17)12-19/h3-4,7-10,12,15-16H,5-6,11,13-14H2,1-2H3
InChIKeyAPQVXJNBJOYYKX-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine?
The IUPAC name of 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine (CID 4565979) is 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine.
What is the SMILES notation for 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine?
The canonical SMILES for 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine is CC1CCCN(C(C)CS(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine?
The InChIKey is APQVXJNBJOYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-15-6-5-11-20(13-15)16(2)14-23(21,22)19-10-9-17-7-3-4-8-18(17)12-19/h3-4,7-10,12,15-16H,5-6,11,13-14H2,1-2H3.
What are the key properties of 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine?
3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine has a molecular weight of 331.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-naphthalen-2-ylsulfonylpropan-2-yl)piperidine is sourced from PubChem (CID 4565979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).