2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide

C9H16O4S — CID 22497279

IUPAC2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide
SMILESC=CCOCCOC1CCCS1(=O)=O
InChIInChI=1S/C9H16O4S/c1-2-5-12-6-7-13-9-4-3-8-14(9,10)11/h2,9H,1,3-8H2
InChIKeyJGTYDKKBEKYVFL-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.74
Rot. Bonds6

About 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide

2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide (PubChem CID 22497279) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide
PubChem CID22497279
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide
SMILESC=CCOCCOC1CCCS1(=O)=O
InChIInChI=1S/C9H16O4S/c1-2-5-12-6-7-13-9-4-3-8-14(9,10)11/h2,9H,1,3-8H2
InChIKeyJGTYDKKBEKYVFL-UHFFFAOYSA-N
XLogP0.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide?
The IUPAC name of 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide (CID 22497279) is 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide is C=CCOCCOC1CCCS1(=O)=O.
What is the InChIKey of 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide?
The InChIKey is JGTYDKKBEKYVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-2-5-12-6-7-13-9-4-3-8-14(9,10)11/h2,9H,1,3-8H2.
What are the key properties of 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide?
2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide has a molecular weight of 220.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 22497279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).