N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide

C11H17NO3S — CID 59268334

IUPACN-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide
SMILESCOCc1cc(CNS(C)(=O)=O)ccc1C
InChIInChI=1S/C11H17NO3S/c1-9-4-5-10(6-11(9)8-15-2)7-12-16(3,13)14/h4-6,12H,7-8H2,1-3H3
InChIKeyKKCFZACMEJLINM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.19
Rot. Bonds5

About N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide

N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide (PubChem CID 59268334) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide
PubChem CID59268334
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide
SMILESCOCc1cc(CNS(C)(=O)=O)ccc1C
InChIInChI=1S/C11H17NO3S/c1-9-4-5-10(6-11(9)8-15-2)7-12-16(3,13)14/h4-6,12H,7-8H2,1-3H3
InChIKeyKKCFZACMEJLINM-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide (CID 59268334) is N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide is COCc1cc(CNS(C)(=O)=O)ccc1C.
What is the InChIKey of N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide?
The InChIKey is KKCFZACMEJLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-5-10(6-11(9)8-15-2)7-12-16(3,13)14/h4-6,12H,7-8H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide?
N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide is sourced from PubChem (CID 59268334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).