(3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide

C10H16O4S — CID 7038886

IUPAC(3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
SMILESC=CCO[C@@H]1CS(=O)(=O)C[C@H]1OCC=C
InChIInChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2/t9-,10-/m1/s1
InChIKeyKDHWGEZUFBKRRL-NXEZZACHSA-N
MW232.30 g/mol
LogP0.56
Rot. Bonds6

About (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide

(3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide (PubChem CID 7038886) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
PubChem CID7038886
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name(3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
SMILESC=CCO[C@@H]1CS(=O)(=O)C[C@H]1OCC=C
InChIInChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2/t9-,10-/m1/s1
InChIKeyKDHWGEZUFBKRRL-NXEZZACHSA-N
XLogP0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The IUPAC name of (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide (CID 7038886) is (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide.
What is the SMILES notation for (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The canonical SMILES for (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide is C=CCO[C@@H]1CS(=O)(=O)C[C@H]1OCC=C.
What is the InChIKey of (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The InChIKey is KDHWGEZUFBKRRL-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
(3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide has a molecular weight of 232.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 7038886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).