N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H26N2O3S — CID 106092695

IUPACN-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NCCCCCOC)c1
InChIInChI=1S/C15H26N2O3S/c1-13-7-8-14(12-16-2)11-15(13)21(18,19)17-9-5-4-6-10-20-3/h7-8,11,16-17H,4-6,9-10,12H2,1-3H3
InChIKeyBFUOVASPCFJBLW-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.81
Rot. Bonds10

About N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106092695) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106092695
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NCCCCCOC)c1
InChIInChI=1S/C15H26N2O3S/c1-13-7-8-14(12-16-2)11-15(13)21(18,19)17-9-5-4-6-10-20-3/h7-8,11,16-17H,4-6,9-10,12H2,1-3H3
InChIKeyBFUOVASPCFJBLW-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-methoxybutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106054095
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
2,3-difluoro-5-(hydroxymethyl)-N-(5-methoxypentyl)benzenesulfonamide
CID 106002047
5-(aminomethyl)-3-fluoro-N-(5-methoxypentyl)-2-methylbenzenesulfonamide
CID 106092701
4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 106054066
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
2-bromo-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058201
5-(aminomethyl)-3-fluoro-N-(4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106053966
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106092695) is N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)NCCCCCOC)c1.
What is the InChIKey of N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is BFUOVASPCFJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-13-7-8-14(12-16-2)11-15(13)21(18,19)17-9-5-4-6-10-20-3/h7-8,11,16-17H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106092695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).