1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide

C16H30N2O6S4 — CID 162008377

IUPAC1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide
SMILESC=CS(=O)(=O)C=C.C=CS(=O)(=O)CCSCCNC(C)=O.CC(=O)NCCS
InChIInChI=1S/C8H15NO3S2.C4H9NOS.C4H6O2S/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;1-4(6)5-2-3-7;1-3-7(5,6)4-2/h3H,1,4-7H2,2H3,(H,9,10);7H,2-3H2,1H3,(H,5,6);3-4H,1-2H2
InChIKeyYTDIOVSMXITQDT-UHFFFAOYSA-N
MW474.69 g/mol
LogP1.15
Rot. Bonds11

About 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide

1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide (PubChem CID 162008377) has the molecular formula C16H30N2O6S4 and a molecular weight of 474.69 g/mol. Its IUPAC name is 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide
PubChem CID162008377
Molecular FormulaC16H30N2O6S4
Molecular Weight474.69 g/mol
Exact Mass474.10
IUPAC Name1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide
SMILESC=CS(=O)(=O)C=C.C=CS(=O)(=O)CCSCCNC(C)=O.CC(=O)NCCS
InChIInChI=1S/C8H15NO3S2.C4H9NOS.C4H6O2S/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;1-4(6)5-2-3-7;1-3-7(5,6)4-2/h3H,1,4-7H2,2H3,(H,9,10);7H,2-3H2,1H3,(H,5,6);3-4H,1-2H2
InChIKeyYTDIOVSMXITQDT-UHFFFAOYSA-N
XLogP1.15
TPSA126.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.69
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide?
The IUPAC name of 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide (CID 162008377) is 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide is C=CS(=O)(=O)C=C.C=CS(=O)(=O)CCSCCNC(C)=O.CC(=O)NCCS.
What is the InChIKey of 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide?
The InChIKey is YTDIOVSMXITQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S2.C4H9NOS.C4H6O2S/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;1-4(6)5-2-3-7;1-3-7(5,6)4-2/h3H,1,4-7H2,2H3,(H,9,10);7H,2-3H2,1H3,(H,5,6);3-4H,1-2H2.
What are the key properties of 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide?
1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide has a molecular weight of 474.69 g/mol, XLogP of 1.15, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylethene;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide;N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 162008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).