(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide

C5H8O4S — CID 11275189

IUPAC(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
SMILESO=S1(=O)O[C@H]2CCC[C@H]2O1
InChIInChI=1S/C5H8O4S/c6-10(7)8-4-2-1-3-5(4)9-10/h4-5H,1-3H2/t4-,5+
InChIKeyFKWFSTCVZZHRCG-SYDPRGILSA-N
MW164.18 g/mol
LogP0.20
Rot. Bonds

About (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide

(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide (PubChem CID 11275189) has the molecular formula C5H8O4S and a molecular weight of 164.18 g/mol. Its IUPAC name is (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide.

Molecular Properties

Compound Name(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
PubChem CID11275189
Molecular FormulaC5H8O4S
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
SMILESO=S1(=O)O[C@H]2CCC[C@H]2O1
InChIInChI=1S/C5H8O4S/c6-10(7)8-4-2-1-3-5(4)9-10/h4-5H,1-3H2/t4-,5+
InChIKeyFKWFSTCVZZHRCG-SYDPRGILSA-N
XLogP0.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide?
The IUPAC name of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide (CID 11275189) is (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide.
What is the SMILES notation for (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide?
The canonical SMILES for (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide is O=S1(=O)O[C@H]2CCC[C@H]2O1.
What is the InChIKey of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide?
The InChIKey is FKWFSTCVZZHRCG-SYDPRGILSA-N. The full InChI is InChI=1S/C5H8O4S/c6-10(7)8-4-2-1-3-5(4)9-10/h4-5H,1-3H2/t4-,5+.
What are the key properties of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide?
(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide has a molecular weight of 164.18 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide is sourced from PubChem (CID 11275189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).