N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide

C11H18N2O2S — CID 60824654

IUPACN-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C11H18N2O2S/c1-4-13(3)16(14,15)11-7-5-10(6-8-11)9-12-2/h5-8,12H,4,9H2,1-3H3
InChIKeyJUPWYAZTLRMXDO-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide

N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 60824654) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID60824654
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C11H18N2O2S/c1-4-13(3)16(14,15)11-7-5-10(6-8-11)9-12-2/h5-8,12H,4,9H2,1-3H3
InChIKeyJUPWYAZTLRMXDO-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824808
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
N-(1-hydroxypropan-2-yl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 104552576
3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 107091204
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936304
2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide
CID 79186028
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (CID 60824654) is N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(CNC)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is JUPWYAZTLRMXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-13(3)16(14,15)11-7-5-10(6-8-11)9-12-2/h5-8,12H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60824654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).