1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine

C14H21NO3S — CID 935601

IUPAC1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-3-18-13-8-7-12(2)11-14(13)19(16,17)15-9-5-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyHGJMHGUNZSEXON-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine

1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine (PubChem CID 935601) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine
PubChem CID935601
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-3-18-13-8-7-12(2)11-14(13)19(16,17)15-9-5-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyHGJMHGUNZSEXON-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine (CID 935601) is 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine is CCOc1ccc(C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine?
The InChIKey is HGJMHGUNZSEXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-18-13-8-7-12(2)11-14(13)19(16,17)15-9-5-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine?
1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine has a molecular weight of 283.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 935601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).