N-(benzylsulfamoyl)-2-ethoxyethanamine

C11H18N2O3S — CID 154495272

IUPACN-(benzylsulfamoyl)-2-ethoxyethanamine
SMILESCCOCCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H18N2O3S/c1-2-16-9-8-12-17(14,15)13-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyBUEHKNVJEJZFNR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.65
Rot. Bonds8

About N-(benzylsulfamoyl)-2-ethoxyethanamine

N-(benzylsulfamoyl)-2-ethoxyethanamine (PubChem CID 154495272) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-2-ethoxyethanamine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-2-ethoxyethanamine
PubChem CID154495272
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(benzylsulfamoyl)-2-ethoxyethanamine
SMILESCCOCCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H18N2O3S/c1-2-16-9-8-12-17(14,15)13-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyBUEHKNVJEJZFNR-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylsulfamoyl)butan-1-amine
CID 15569640
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106020217
1-[2-(benzylsulfamoyl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111224583
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-2-ethoxyethanamine?
The IUPAC name of N-(benzylsulfamoyl)-2-ethoxyethanamine (CID 154495272) is N-(benzylsulfamoyl)-2-ethoxyethanamine.
What is the SMILES notation for N-(benzylsulfamoyl)-2-ethoxyethanamine?
The canonical SMILES for N-(benzylsulfamoyl)-2-ethoxyethanamine is CCOCCNS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-2-ethoxyethanamine?
The InChIKey is BUEHKNVJEJZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-16-9-8-12-17(14,15)13-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of N-(benzylsulfamoyl)-2-ethoxyethanamine?
N-(benzylsulfamoyl)-2-ethoxyethanamine has a molecular weight of 258.34 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-2-ethoxyethanamine is sourced from PubChem (CID 154495272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).