N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide

C15H26N2O3S — CID 81064011

IUPACN-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)N(C)CCOCC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-13-14-7-6-8-15(12-14)21(18,19)17(3)10-11-20-5-2/h6-8,12,16H,4-5,9-11,13H2,1-3H3
InChIKeyLPTMVSGLXVCHJC-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.84
Rot. Bonds10

About N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide

N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide (PubChem CID 81064011) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
PubChem CID81064011
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)N(C)CCOCC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-13-14-7-6-8-15(12-14)21(18,19)17(3)10-11-20-5-2/h6-8,12,16H,4-5,9-11,13H2,1-3H3
InChIKeyLPTMVSGLXVCHJC-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.84
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

N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
N-(2-ethoxyethyl)-N-methyl-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 81067735
3-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062012
3-chloro-N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)benzenesulfonamide
CID 107091387
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
3-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81067596
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-(1-methoxybutan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106068380
N-[2-(dimethylamino)ethyl]-3-ethyl-N-methylbenzenesulfonamide
CID 71155043

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide (CID 81064011) is N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide is CCCNCc1cccc(S(=O)(=O)N(C)CCOCC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide?
The InChIKey is LPTMVSGLXVCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-9-16-13-14-7-6-8-15(12-14)21(18,19)17(3)10-11-20-5-2/h6-8,12,16H,4-5,9-11,13H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide?
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.84, 10 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-3-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 81064011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).