1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C12H19NO5S — CID 132917103

IUPAC1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCOCCS
InChIInChI=1S/C12H19NO5S/c14-11-1-2-12(15)13(11)3-4-16-5-6-17-7-8-18-9-10-19/h1-2,19H,3-10H2
InChIKeyYNRBIPGXPOVLAB-UHFFFAOYSA-N
MW289.35 g/mol
LogP-0.11
Rot. Bonds11

About 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 132917103) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID132917103
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Name1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCOCCS
InChIInChI=1S/C12H19NO5S/c14-11-1-2-12(15)13(11)3-4-16-5-6-17-7-8-18-9-10-19/h1-2,19H,3-10H2
InChIKeyYNRBIPGXPOVLAB-UHFFFAOYSA-N
XLogP-0.11
TPSA65.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 132917103) is 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCCOCCOCCS.
What is the InChIKey of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is YNRBIPGXPOVLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c14-11-1-2-12(15)13(11)3-4-16-5-6-17-7-8-18-9-10-19/h1-2,19H,3-10H2.
What are the key properties of 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 289.35 g/mol, XLogP of -0.11, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 132917103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).