4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

C16H25NO3S — CID 110869883

IUPAC4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCOCC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H25NO3S/c1-12-9-13(2)16(14(3)10-12)21(18,19)17-7-5-15(6-8-17)11-20-4/h9-10,15H,5-8,11H2,1-4H3
InChIKeyDRNXKBNECGSKND-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.66
Rot. Bonds4

About 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (PubChem CID 110869883) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
PubChem CID110869883
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCOCC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H25NO3S/c1-12-9-13(2)16(14(3)10-12)21(18,19)17-7-5-15(6-8-17)11-20-4/h9-10,15H,5-8,11H2,1-4H3
InChIKeyDRNXKBNECGSKND-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (CID 110869883) is 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is COCC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The InChIKey is DRNXKBNECGSKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-9-13(2)16(14(3)10-12)21(18,19)17-7-5-15(6-8-17)11-20-4/h9-10,15H,5-8,11H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110869883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).