1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide

C16H25NO3S — CID 75533839

IUPAC1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)CC2CCOCC2)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-12-8-13(2)16(14(3)9-12)10-17-21(18,19)11-15-4-6-20-7-5-15/h8-9,15,17H,4-7,10-11H2,1-3H3
InChIKeyJIIRSCIKTDCHIU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds5

About 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide

1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide (PubChem CID 75533839) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide
PubChem CID75533839
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)CC2CCOCC2)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-12-8-13(2)16(14(3)9-12)10-17-21(18,19)11-15-4-6-20-7-5-15/h8-9,15,17H,4-7,10-11H2,1-3H3
InChIKeyJIIRSCIKTDCHIU-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide (CID 75533839) is 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide is Cc1cc(C)c(CNS(=O)(=O)CC2CCOCC2)c(C)c1.
What is the InChIKey of 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide?
The InChIKey is JIIRSCIKTDCHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-8-13(2)16(14(3)9-12)10-17-21(18,19)11-15-4-6-20-7-5-15/h8-9,15,17H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide?
1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 75533839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).