5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide

C15H26N2O2S2 — CID 106066290

IUPAC5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCCSC)c(C)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-5-16-11-14-10-15(13(3)9-12(14)2)21(18,19)17-7-6-8-20-4/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyDQGGJYXDALEWAF-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.44
Rot. Bonds9

About 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide

5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 106066290) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID106066290
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCCSC)c(C)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-5-16-11-14-10-15(13(3)9-12(14)2)21(18,19)17-7-6-8-20-4/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyDQGGJYXDALEWAF-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide
CID 106063487
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070
5-(ethylaminomethyl)-2-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093781
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
5-(hydroxymethyl)-2-methyl-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106002448
2-bromo-N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)benzenesulfonamide
CID 106066344
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
4-methyl-3-(5-methylsulfanylpentylsulfamoyl)benzoic acid
CID 104920938
5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 106069990
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide (CID 106066290) is 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide is CCNCc1cc(S(=O)(=O)NCCCSC)c(C)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is DQGGJYXDALEWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-16-11-14-10-15(13(3)9-12(14)2)21(18,19)17-7-6-8-20-4/h9-10,16-17H,5-8,11H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 106066290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).