1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine

C15H23NO3S — CID 47000966

IUPAC1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23NO3S/c1-4-19-14-6-5-13(3)11-15(14)20(17,18)16-9-7-12(2)8-10-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMERPCLFNNKCUNE-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine

1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine (PubChem CID 47000966) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
PubChem CID47000966
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23NO3S/c1-4-19-14-6-5-13(3)11-15(14)20(17,18)16-9-7-12(2)8-10-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMERPCLFNNKCUNE-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592043
1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
CID 16895275
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 46287370
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1,4-diazepane
CID 82252101
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 91670208
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79873730

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine (CID 47000966) is 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine is CCOc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is MERPCLFNNKCUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-14-6-5-13(3)11-15(14)20(17,18)16-9-7-12(2)8-10-16/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine?
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.81, 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)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 47000966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).