N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

C15H26N2O3S — CID 106086792

IUPACN-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-20-15(3,4)11-17-21(18,19)14-8-7-12(2)13(9-14)10-16-5/h7-9,16-17H,6,10-11H2,1-5H3
InChIKeyZSNZVGCCNGYSMO-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.81
Rot. Bonds8

About N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106086792) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106086792
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-20-15(3,4)11-17-21(18,19)14-8-7-12(2)13(9-14)10-16-5/h7-9,16-17H,6,10-11H2,1-5H3
InChIKeyZSNZVGCCNGYSMO-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964
4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058312
3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 106086687
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide
CID 114944043
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086739
4-chloro-N-(2-ethoxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 114941710
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106086792) is N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is CCOC(C)(C)CNS(=O)(=O)c1ccc(C)c(CNC)c1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is ZSNZVGCCNGYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-20-15(3,4)11-17-21(18,19)14-8-7-12(2)13(9-14)10-16-5/h7-9,16-17H,6,10-11H2,1-5H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106086792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).