N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide

C8H15NO4S — CID 58907722

IUPACN-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide
SMILESC=CS(=O)(=O)CCOCCNC(C)=O
InChIInChI=1S/C8H15NO4S/c1-3-14(11,12)7-6-13-5-4-9-8(2)10/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyATDIAERIQKWBJM-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.30
Rot. Bonds7

About N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide

N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide (PubChem CID 58907722) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide
PubChem CID58907722
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC NameN-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide
SMILESC=CS(=O)(=O)CCOCCNC(C)=O
InChIInChI=1S/C8H15NO4S/c1-3-14(11,12)7-6-13-5-4-9-8(2)10/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyATDIAERIQKWBJM-UHFFFAOYSA-N
XLogP-0.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethenylsulfonylethoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide (CID 58907722) is N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide is C=CS(=O)(=O)CCOCCNC(C)=O.
What is the InChIKey of N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide?
The InChIKey is ATDIAERIQKWBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-3-14(11,12)7-6-13-5-4-9-8(2)10/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide?
N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide has a molecular weight of 221.28 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide is sourced from PubChem (CID 58907722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).