N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide

C10H15NO3S — CID 167101167

IUPACN-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide
SMILESCOc1ccc(C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO3S/c1-8-5-6-9(14-3)7-10(8)11(2)15(4,12)13/h5-7H,1-4H3
InChIKeyJKXUTTVTBUOTLG-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.40
Rot. Bonds3

About N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide

N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide (PubChem CID 167101167) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide
PubChem CID167101167
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide
SMILESCOc1ccc(C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO3S/c1-8-5-6-9(14-3)7-10(8)11(2)15(4,12)13/h5-7H,1-4H3
InChIKeyJKXUTTVTBUOTLG-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethynyl-2-methylphenyl)-N-methylmethanesulfonamide
CID 170288117
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
CID 88742271
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
CID 167101115
N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50945543
4-methoxy-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 7730636
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide (CID 167101167) is N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide is COc1ccc(C)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide?
The InChIKey is JKXUTTVTBUOTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-5-6-9(14-3)7-10(8)11(2)15(4,12)13/h5-7H,1-4H3.
What are the key properties of N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide?
N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 167101167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).