1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine

C15H23NO3S — CID 899243

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H23NO3S/c1-4-19-14-10-13(3)15(11-12(14)2)20(17,18)16-8-6-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyNEJFQZSQWIGLCC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine

1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine (PubChem CID 899243) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
PubChem CID899243
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H23NO3S/c1-4-19-14-10-13(3)15(11-12(14)2)20(17,18)16-8-6-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyNEJFQZSQWIGLCC-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
1-[(4-Methoxy-2-methylphenyl)sulfonyl]-4-methylpiperazine
CID 1076577
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine (CID 899243) is 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine is CCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine?
The InChIKey is NEJFQZSQWIGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-14-10-13(3)15(11-12(14)2)20(17,18)16-8-6-5-7-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine?
1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 899243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).