N-(2-methoxyethyl)ethanesulfonamide

C5H13NO3S — CID 4078709

IUPACN-(2-methoxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCOC
InChIInChI=1S/C5H13NO3S/c1-3-10(7,8)6-4-5-9-2/h6H,3-5H2,1-2H3
InChIKeyRHGXAXSDWKUFQW-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.43
Rot. Bonds5

About N-(2-methoxyethyl)ethanesulfonamide

N-(2-methoxyethyl)ethanesulfonamide (PubChem CID 4078709) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)ethanesulfonamide
PubChem CID4078709
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-(2-methoxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCOC
InChIInChI=1S/C5H13NO3S/c1-3-10(7,8)6-4-5-9-2/h6H,3-5H2,1-2H3
InChIKeyRHGXAXSDWKUFQW-UHFFFAOYSA-N
XLogP-0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)ethanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)ethanesulfonamide (CID 4078709) is N-(2-methoxyethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)ethanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)ethanesulfonamide is CCS(=O)(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)ethanesulfonamide?
The InChIKey is RHGXAXSDWKUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-10(7,8)6-4-5-9-2/h6H,3-5H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)ethanesulfonamide?
N-(2-methoxyethyl)ethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)ethanesulfonamide is sourced from PubChem (CID 4078709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).