1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine

C15H23NO3S — CID 66485991

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1C
InChIInChI=1S/C15H23NO3S/c1-11-9-12(2)15(10-14(11)19-4)20(17,18)16-8-6-5-7-13(16)3/h9-10,13H,5-8H2,1-4H3
InChIKeyFSPVIEUZTAUUPJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine

1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine (PubChem CID 66485991) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
PubChem CID66485991
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1C
InChIInChI=1S/C15H23NO3S/c1-11-9-12(2)15(10-14(11)19-4)20(17,18)16-8-6-5-7-13(16)3/h9-10,13H,5-8H2,1-4H3
InChIKeyFSPVIEUZTAUUPJ-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 102945935
1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperidine
CID 46633525
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine
CID 75440515
(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110285844

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine (CID 66485991) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine is COc1cc(S(=O)(=O)N2CCCCC2C)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is FSPVIEUZTAUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-9-12(2)15(10-14(11)19-4)20(17,18)16-8-6-5-7-13(16)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine?
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 66485991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).