2-ethoxyethanesulfonamide

C4H11NO3S — CID 22491140

IUPAC2-ethoxyethanesulfonamide
SMILESCCOCCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKeyNSZHKOWJKWSPSO-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.69
Rot. Bonds4

About 2-ethoxyethanesulfonamide

2-ethoxyethanesulfonamide (PubChem CID 22491140) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-ethoxyethanesulfonamide.

Molecular Properties

Compound Name2-ethoxyethanesulfonamide
PubChem CID22491140
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name2-ethoxyethanesulfonamide
SMILESCCOCCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKeyNSZHKOWJKWSPSO-UHFFFAOYSA-N
XLogP-0.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.69
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 2-ethoxyethanesulfonamide?
The IUPAC name of 2-ethoxyethanesulfonamide (CID 22491140) is 2-ethoxyethanesulfonamide.
What is the SMILES notation for 2-ethoxyethanesulfonamide?
The canonical SMILES for 2-ethoxyethanesulfonamide is CCOCCS(N)(=O)=O.
What is the InChIKey of 2-ethoxyethanesulfonamide?
The InChIKey is NSZHKOWJKWSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7).
What are the key properties of 2-ethoxyethanesulfonamide?
2-ethoxyethanesulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanesulfonamide is sourced from PubChem (CID 22491140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).