N-(2-ethoxyethyl)ethanesulfonamide

C6H15NO3S — CID 61355526

IUPACN-(2-ethoxyethyl)ethanesulfonamide
SMILESCCOCCNS(=O)(=O)CC
InChIInChI=1S/C6H15NO3S/c1-3-10-6-5-7-11(8,9)4-2/h7H,3-6H2,1-2H3
InChIKeyOCPNQVFPIBKZDZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.04
Rot. Bonds6

About N-(2-ethoxyethyl)ethanesulfonamide

N-(2-ethoxyethyl)ethanesulfonamide (PubChem CID 61355526) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(2-ethoxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)ethanesulfonamide
PubChem CID61355526
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(2-ethoxyethyl)ethanesulfonamide
SMILESCCOCCNS(=O)(=O)CC
InChIInChI=1S/C6H15NO3S/c1-3-10-6-5-7-11(8,9)4-2/h7H,3-6H2,1-2H3
InChIKeyOCPNQVFPIBKZDZ-UHFFFAOYSA-N
XLogP-0.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)ethanesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)ethanesulfonamide (CID 61355526) is N-(2-ethoxyethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)ethanesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)ethanesulfonamide is CCOCCNS(=O)(=O)CC.
What is the InChIKey of N-(2-ethoxyethyl)ethanesulfonamide?
The InChIKey is OCPNQVFPIBKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-3-10-6-5-7-11(8,9)4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)ethanesulfonamide?
N-(2-ethoxyethyl)ethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)ethanesulfonamide is sourced from PubChem (CID 61355526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).