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

C17H27NO3S — CID 71871401

IUPAC1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide
SMILESCc1cc(C)c(CCNS(=O)(=O)CC2CCOCC2)c(C)c1
InChIInChI=1S/C17H27NO3S/c1-13-10-14(2)17(15(3)11-13)4-7-18-22(19,20)12-16-5-8-21-9-6-16/h10-11,16,18H,4-9,12H2,1-3H3
InChIKeyKKQBIZXQEPPCQO-UHFFFAOYSA-N
MW325.47 g/mol
LogP2.50
Rot. Bonds6

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

1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide (PubChem CID 71871401) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide
PubChem CID71871401
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide
SMILESCc1cc(C)c(CCNS(=O)(=O)CC2CCOCC2)c(C)c1
InChIInChI=1S/C17H27NO3S/c1-13-10-14(2)17(15(3)11-13)4-7-18-22(19,20)12-16-5-8-21-9-6-16/h10-11,16,18H,4-9,12H2,1-3H3
InChIKeyKKQBIZXQEPPCQO-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(3-methylphenyl)propyl]ethanesulfonamide
CID 72001377
N-[1-(2,3-dimethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 72012480
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561173
2-methyl-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561175
1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide
CID 75533839
N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 97574790
N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide
CID 99832812
N-[(2S)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 100625473
N-[cyclopropyl-(2-methylphenyl)methyl]-1-(oxan-2-yl)methanesulfonamide
CID 132358108
N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(oxan-2-yl)methanesulfonamide
CID 132396646
2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide
CID 136543170
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
CID 164629917

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide (CID 71871401) is 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide is Cc1cc(C)c(CCNS(=O)(=O)CC2CCOCC2)c(C)c1.
What is the InChIKey of 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide?
The InChIKey is KKQBIZXQEPPCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13-10-14(2)17(15(3)11-13)4-7-18-22(19,20)12-16-5-8-21-9-6-16/h10-11,16,18H,4-9,12H2,1-3H3.
What are the key properties of 1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide?
1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 2.50, 6 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-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 71871401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).