3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide

C8H14O6S3 — CID 2829785

IUPAC3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C8H14O6S3/c9-15(10)3-1-7(5-15)17(13,14)8-2-4-16(11,12)6-8/h7-8H,1-6H2
InChIKeyJZPPHERASWJPBI-UHFFFAOYSA-N
MW302.40 g/mol
LogP-1.22
Rot. Bonds2

About 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide

3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide (PubChem CID 2829785) has the molecular formula C8H14O6S3 and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
PubChem CID2829785
Molecular FormulaC8H14O6S3
Molecular Weight302.40 g/mol
Exact Mass302.00
IUPAC Name3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C8H14O6S3/c9-15(10)3-1-7(5-15)17(13,14)8-2-4-16(11,12)6-8/h7-8H,1-6H2
InChIKeyJZPPHERASWJPBI-UHFFFAOYSA-N
XLogP-1.22
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide (CID 2829785) is 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide is O=S1(=O)CCC(S(=O)(=O)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
The InChIKey is JZPPHERASWJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6S3/c9-15(10)3-1-7(5-15)17(13,14)8-2-4-16(11,12)6-8/h7-8H,1-6H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide?
3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide has a molecular weight of 302.40 g/mol, XLogP of -1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 2829785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).