N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide

C16H25NO3S — CID 110604942

IUPACN-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(C)CCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO3S/c1-14-6-8-15(9-7-14)13-21(18,19)17(2)11-10-16-5-3-4-12-20-16/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyWWTFFTPHMWUTIP-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide

N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide (PubChem CID 110604942) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
PubChem CID110604942
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(C)CCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO3S/c1-14-6-8-15(9-7-14)13-21(18,19)17(2)11-10-16-5-3-4-12-20-16/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyWWTFFTPHMWUTIP-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 71997165
1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
CID 131952531
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide (CID 110604942) is N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)N(C)CCC2CCCCO2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide?
The InChIKey is WWTFFTPHMWUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-14-6-8-15(9-7-14)13-21(18,19)17(2)11-10-16-5-3-4-12-20-16/h6-9,16H,3-5,10-13H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide?
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110604942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).