2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine

C16H25NO3S — CID 2933359

IUPAC2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C16H25NO3S/c1-5-14-8-6-7-9-17(14)21(18,19)16-11-15(20-4)12(2)10-13(16)3/h10-11,14H,5-9H2,1-4H3
InChIKeyBSFDBTSACJBLOM-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.27
Rot. Bonds4

About 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine

2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine (PubChem CID 2933359) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
PubChem CID2933359
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C16H25NO3S/c1-5-14-8-6-7-9-17(14)21(18,19)16-11-15(20-4)12(2)10-13(16)3/h10-11,14H,5-9H2,1-4H3
InChIKeyBSFDBTSACJBLOM-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-[1-(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725549
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
[(5-Ethoxy-2,4-dimethylphenyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 2235525
N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 849958
1-((4-Methoxy-3-methylphenyl)sulfonyl)piperidine
CID 847007
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine (CID 2933359) is 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine is CCC1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1C.
What is the InChIKey of 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
The InChIKey is BSFDBTSACJBLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-14-8-6-7-9-17(14)21(18,19)16-11-15(20-4)12(2)10-13(16)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 2933359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).