2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide

C15H26N2O2S2 — CID 106063487

IUPAC2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCSC)c(C)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-5-6-16-11-14-10-15(13(3)9-12(14)2)21(18,19)17-7-8-20-4/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyLWBDUMSFVRJXGX-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.44
Rot. Bonds9

About 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide

2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide (PubChem CID 106063487) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide
PubChem CID106063487
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCSC)c(C)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-5-6-16-11-14-10-15(13(3)9-12(14)2)21(18,19)17-7-8-20-4/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyLWBDUMSFVRJXGX-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

5-(ethylaminomethyl)-2,4-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066290
2-bromo-N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)benzenesulfonamide
CID 106066344
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070
N-(2-methylsulfanylethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106063787
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
6-methyl-N-[2-(propylamino)ethyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876034
2-methyl-N-(2-methylsulfanylpropyl)-5-(propylaminomethyl)benzenesulfonamide
CID 106077729
4-methyl-N-(2-methylsulfanylpropyl)-3-(propylaminomethyl)benzenesulfonamide
CID 106077660
N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 103465956
N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106063705
4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide
CID 81435327

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide (CID 106063487) is 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide is CCCNCc1cc(S(=O)(=O)NCCSC)c(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide?
The InChIKey is LWBDUMSFVRJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-6-16-11-14-10-15(13(3)9-12(14)2)21(18,19)17-7-8-20-4/h9-10,16-17H,5-8,11H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide?
2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)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 2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106063487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).