3-(1,3-dioxol-4-yl)-1,3-thiazolidine

C6H9NO2S — CID 54283019

IUPAC3-(1,3-dioxol-4-yl)-1,3-thiazolidine
SMILESC1=C(N2CCSC2)OCO1
InChIInChI=1S/C6H9NO2S/c1-2-10-4-7(1)6-3-8-5-9-6/h3H,1-2,4-5H2
InChIKeyRSCJUFXTRCZKBK-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.80
Rot. Bonds1

About 3-(1,3-dioxol-4-yl)-1,3-thiazolidine

3-(1,3-dioxol-4-yl)-1,3-thiazolidine (PubChem CID 54283019) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-(1,3-dioxol-4-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(1,3-dioxol-4-yl)-1,3-thiazolidine
PubChem CID54283019
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-(1,3-dioxol-4-yl)-1,3-thiazolidine
SMILESC1=C(N2CCSC2)OCO1
InChIInChI=1S/C6H9NO2S/c1-2-10-4-7(1)6-3-8-5-9-6/h3H,1-2,4-5H2
InChIKeyRSCJUFXTRCZKBK-UHFFFAOYSA-N
XLogP0.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxol-4-yl)-1,3-thiazolidine?
The IUPAC name of 3-(1,3-dioxol-4-yl)-1,3-thiazolidine (CID 54283019) is 3-(1,3-dioxol-4-yl)-1,3-thiazolidine.
What is the SMILES notation for 3-(1,3-dioxol-4-yl)-1,3-thiazolidine?
The canonical SMILES for 3-(1,3-dioxol-4-yl)-1,3-thiazolidine is C1=C(N2CCSC2)OCO1.
What is the InChIKey of 3-(1,3-dioxol-4-yl)-1,3-thiazolidine?
The InChIKey is RSCJUFXTRCZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-10-4-7(1)6-3-8-5-9-6/h3H,1-2,4-5H2.
What are the key properties of 3-(1,3-dioxol-4-yl)-1,3-thiazolidine?
3-(1,3-dioxol-4-yl)-1,3-thiazolidine has a molecular weight of 159.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxol-4-yl)-1,3-thiazolidine is sourced from PubChem (CID 54283019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).