N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide

C11H18N2O3S — CID 63765237

IUPACN-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
SMILESNCCOCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H18N2O3S/c12-6-8-16-9-7-13-17(14,15)10-11-4-2-1-3-5-11/h1-5,13H,6-10,12H2
InChIKeyRHOLJMVMRGRFEL-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.08
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide

N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide (PubChem CID 63765237) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
PubChem CID63765237
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
SMILESNCCOCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H18N2O3S/c12-6-8-16-9-7-13-17(14,15)10-11-4-2-1-3-5-11/h1-5,13H,6-10,12H2
InChIKeyRHOLJMVMRGRFEL-UHFFFAOYSA-N
XLogP0.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
1-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63825144
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
CID 131007900

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide (CID 63765237) is N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide is NCCOCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is RHOLJMVMRGRFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c12-6-8-16-9-7-13-17(14,15)10-11-4-2-1-3-5-11/h1-5,13H,6-10,12H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide?
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 63765237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).