2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide

C16H25NO3S — CID 136543170

IUPAC2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)C2CCOC(C)C2)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-11-7-12(2)16(13(3)8-11)10-17-21(18,19)15-5-6-20-14(4)9-15/h7-8,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyYJJZVOLJQJWXAP-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide

2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide (PubChem CID 136543170) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide
PubChem CID136543170
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)C2CCOC(C)C2)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-11-7-12(2)16(13(3)8-11)10-17-21(18,19)15-5-6-20-14(4)9-15/h7-8,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyYJJZVOLJQJWXAP-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dimethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 72012480
1-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]methanesulfonamide
CID 71871401
1-(oxan-4-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide
CID 75533839
N-[cyclopropyl-(2-methylphenyl)methyl]-1-(oxan-2-yl)methanesulfonamide
CID 132358108
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
CID 164629917
1-[(3S)-3-ethoxyoxolan-3-yl]-N-[(2,4,6-trimethylphenyl)methyl]methanesulfonamide
CID 164642072
N-benzyloxane-4-sulfonamide
CID 53484275
N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
CID 71997808
2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
CID 138014152
N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide
CID 166232625
N-[2-(3,4-dimethylphenyl)-2-fluoroethyl]-1-methoxypropane-2-sulfonamide
CID 167794224
8-[4-(oxan-4-yl)phenyl]-3,4-dihydro-1H-2lambda6,3-benzothiazine 2,2-dioxide
CID 117735649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide (CID 136543170) is 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide is Cc1cc(C)c(CNS(=O)(=O)C2CCOC(C)C2)c(C)c1.
What is the InChIKey of 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide?
The InChIKey is YJJZVOLJQJWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-7-12(2)16(13(3)8-11)10-17-21(18,19)15-5-6-20-14(4)9-15/h7-8,14-15,17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide?
2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,6-trimethylphenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 136543170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).