1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine

C15H23NO3S — CID 71691379

IUPAC1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
SMILESCC(C)OCc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-13(2)19-12-14-7-6-8-15(11-14)20(17,18)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKeyZBLZVJBIEOKOHX-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.79
Rot. Bonds5

About 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine

1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine (PubChem CID 71691379) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
PubChem CID71691379
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
SMILESCC(C)OCc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-13(2)19-12-14-7-6-8-15(11-14)20(17,18)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKeyZBLZVJBIEOKOHX-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868
(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756864
1-[3-(phenoxymethyl)phenyl]sulfonylazepane
CID 71691343
1-(3-propylphenyl)sulfonylpyrrolidine
CID 142264878
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
4-(3-pyrrolidin-1-ylsulfonylphenyl)butan-2-one
CID 66668829
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108
(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 136580990
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
3-(azepan-1-ylsulfonyl)aniline
CID 5004919

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine (CID 71691379) is 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine is CC(C)OCc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
The InChIKey is ZBLZVJBIEOKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13(2)19-12-14-7-6-8-15(11-14)20(17,18)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 71691379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).