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

C16H25NO3S — CID 3499882

IUPAC2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C16H25NO3S/c1-5-14-8-6-7-9-17(14)21(18,19)16-11-13(3)12(2)10-15(16)20-4/h10-11,14H,5-9H2,1-4H3
InChIKeySEADQRGEASBLEQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.27
Rot. Bonds4

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

2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine (PubChem CID 3499882) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
PubChem CID3499882
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C16H25NO3S/c1-5-14-8-6-7-9-17(14)21(18,19)16-11-13(3)12(2)10-15(16)20-4/h10-11,14H,5-9H2,1-4H3
InChIKeySEADQRGEASBLEQ-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine (CID 3499882) is 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine is CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The InChIKey is SEADQRGEASBLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-14-8-6-7-9-17(14)21(18,19)16-11-13(3)12(2)10-15(16)20-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
2-ethyl-1-(2-methoxy-4,5-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-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 3499882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).