N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride

C13H23ClN2O3S — CID 120584154

IUPACN-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)N(CCN)Cc1ccccc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-2-18-10-11-19(16,17)15(9-8-14)12-13-6-4-3-5-7-13;/h3-7H,2,8-12,14H2,1H3;1H
InChIKeyAPQAANMZCXFLHJ-UHFFFAOYSA-N
MW322.86 g/mol
LogP1.24
Rot. Bonds9

About N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride

N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride (PubChem CID 120584154) has the molecular formula C13H23ClN2O3S and a molecular weight of 322.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
PubChem CID120584154
Molecular FormulaC13H23ClN2O3S
Molecular Weight322.86 g/mol
Exact Mass322.11
IUPAC NameN-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)N(CCN)Cc1ccccc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-2-18-10-11-19(16,17)15(9-8-14)12-13-6-4-3-5-7-13;/h3-7H,2,8-12,14H2,1H3;1H
InChIKeyAPQAANMZCXFLHJ-UHFFFAOYSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 51.24
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-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N-(2-aminoethyl)-N-benzyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048413
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
CID 114803646
2-[(3-aminophenyl)methyl-(2-ethoxyethylsulfonyl)amino]acetamide
CID 63246039
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
CID 120584146
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride (CID 120584154) is N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride is CCOCCS(=O)(=O)N(CCN)Cc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride?
The InChIKey is APQAANMZCXFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S.ClH/c1-2-18-10-11-19(16,17)15(9-8-14)12-13-6-4-3-5-7-13;/h3-7H,2,8-12,14H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride?
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 120584154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).