3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide

C14H22O5S2 — CID 90401608

IUPAC3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide
SMILESC=CCC1C(OC2CCS(=O)(=O)C2CC=C)CCS1(=O)=O
InChIInChI=1S/C14H22O5S2/c1-3-5-13-11(7-9-20(13,15)16)19-12-8-10-21(17,18)14(12)6-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyGGSIBVXESZHWAE-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.27
Rot. Bonds6

About 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide

3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide (PubChem CID 90401608) has the molecular formula C14H22O5S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide
PubChem CID90401608
Molecular FormulaC14H22O5S2
Molecular Weight334.46 g/mol
Exact Mass334.09
IUPAC Name3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide
SMILESC=CCC1C(OC2CCS(=O)(=O)C2CC=C)CCS1(=O)=O
InChIInChI=1S/C14H22O5S2/c1-3-5-13-11(7-9-20(13,15)16)19-12-8-10-21(17,18)14(12)6-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyGGSIBVXESZHWAE-UHFFFAOYSA-N
XLogP1.27
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide?
The IUPAC name of 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide (CID 90401608) is 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide?
The canonical SMILES for 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide is C=CCC1C(OC2CCS(=O)(=O)C2CC=C)CCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide?
The InChIKey is GGSIBVXESZHWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5S2/c1-3-5-13-11(7-9-20(13,15)16)19-12-8-10-21(17,18)14(12)6-4-2/h3-4,11-14H,1-2,5-10H2.
What are the key properties of 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide?
3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide has a molecular weight of 334.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-2-prop-2-enylthiolan-3-yl)oxy-2-prop-2-enylthiolane 1,1-dioxide is sourced from PubChem (CID 90401608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).