N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide

C13H22N2O3S — CID 81068198

IUPACN-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccccc1CNC
InChIInChI=1S/C13H22N2O3S/c1-4-18-10-9-15(3)19(16,17)13-8-6-5-7-12(13)11-14-2/h5-8,14H,4,9-11H2,1-3H3
InChIKeyUWDMQMBDRPBYQB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.06
Rot. Bonds8

About N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide

N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 81068198) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
PubChem CID81068198
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccccc1CNC
InChIInChI=1S/C13H22N2O3S/c1-4-18-10-9-15(3)19(16,17)13-8-6-5-7-12(13)11-14-2/h5-8,14H,4,9-11H2,1-3H3
InChIKeyUWDMQMBDRPBYQB-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81064012
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067996
5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
N-(2-ethoxyethyl)-N-methyl-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067624
N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067735
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 81062766
2-(aminomethyl)-N-(2-ethoxyethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 81058611
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 111122916
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 81064011
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81056476

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide (CID 81068198) is N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccccc1CNC.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is UWDMQMBDRPBYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-18-10-9-15(3)19(16,17)13-8-6-5-7-12(13)11-14-2/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 81068198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).