3-nonoxythiolane 1,1-dioxide

C13H26O3S — CID 3779000

IUPAC3-nonoxythiolane 1,1-dioxide
SMILESCCCCCCCCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C13H26O3S/c1-2-3-4-5-6-7-8-10-16-13-9-11-17(14,15)12-13/h13H,2-12H2,1H3
InChIKeyHTJJJWVCCMLATR-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.94
Rot. Bonds9

About 3-nonoxythiolane 1,1-dioxide

3-nonoxythiolane 1,1-dioxide (PubChem CID 3779000) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 3-nonoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-nonoxythiolane 1,1-dioxide
PubChem CID3779000
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name3-nonoxythiolane 1,1-dioxide
SMILESCCCCCCCCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C13H26O3S/c1-2-3-4-5-6-7-8-10-16-13-9-11-17(14,15)12-13/h13H,2-12H2,1H3
InChIKeyHTJJJWVCCMLATR-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 3-nonoxythiolane 1,1-dioxide?
The IUPAC name of 3-nonoxythiolane 1,1-dioxide (CID 3779000) is 3-nonoxythiolane 1,1-dioxide.
What is the SMILES notation for 3-nonoxythiolane 1,1-dioxide?
The canonical SMILES for 3-nonoxythiolane 1,1-dioxide is CCCCCCCCCOC1CCS(=O)(=O)C1.
What is the InChIKey of 3-nonoxythiolane 1,1-dioxide?
The InChIKey is HTJJJWVCCMLATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-2-3-4-5-6-7-8-10-16-13-9-11-17(14,15)12-13/h13H,2-12H2,1H3.
What are the key properties of 3-nonoxythiolane 1,1-dioxide?
3-nonoxythiolane 1,1-dioxide has a molecular weight of 262.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonoxythiolane 1,1-dioxide is sourced from PubChem (CID 3779000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).