4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine

C15H23NO4S — CID 91907782

IUPAC4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C15H23NO4S/c1-13-5-3-4-6-15(13)21(17,18)16-9-7-14(8-10-16)20-12-11-19-2/h3-6,14H,7-12H2,1-2H3
InChIKeyCJPLPKGPOORKEJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.81
Rot. Bonds6

About 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine

4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine (PubChem CID 91907782) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine
PubChem CID91907782
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C15H23NO4S/c1-13-5-3-4-6-15(13)21(17,18)16-9-7-14(8-10-16)20-12-11-19-2/h3-6,14H,7-12H2,1-2H3
InChIKeyCJPLPKGPOORKEJ-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-Tosyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242101
8-(2,4-Dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467872
3-(Toluene-4-sulfonyl)-[1,3]oxazinane
CID 959536
8-(4-Propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3313428
8-(4-Butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5167940
4-(4-Methoxypiperidin-1-yl)sulfonyl-3-(trifluoromethyl)benzenesulfonamide
CID 53909051
8-[(2,5-Dimethylphenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467849
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
8-[4-(Trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5161344
4-((2-Methoxyethoxy)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49677834
4-Methoxy-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49720663
4-(4-Methoxypiperidin-1-yl)sulfonyl-2,6-dimethylbenzenesulfonamide
CID 85950231

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine (CID 91907782) is 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine is COCCOC1CCN(S(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine?
The InChIKey is CJPLPKGPOORKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-13-5-3-4-6-15(13)21(17,18)16-9-7-14(8-10-16)20-12-11-19-2/h3-6,14H,7-12H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine?
4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine has a molecular weight of 313.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 91907782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).