(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide

C8H16O3S — CID 59959299

IUPAC(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide
SMILESCO[C@H]1CCS(=O)(=O)[C@H]1C(C)C
InChIInChI=1S/C8H16O3S/c1-6(2)8-7(11-3)4-5-12(8,9)10/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyGIMJGOOJNVATFM-YUMQZZPRSA-N
MW192.28 g/mol
LogP0.84
Rot. Bonds2

About (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide

(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide (PubChem CID 59959299) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide
PubChem CID59959299
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide
SMILESCO[C@H]1CCS(=O)(=O)[C@H]1C(C)C
InChIInChI=1S/C8H16O3S/c1-6(2)8-7(11-3)4-5-12(8,9)10/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyGIMJGOOJNVATFM-YUMQZZPRSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide?
The IUPAC name of (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide (CID 59959299) is (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide.
What is the SMILES notation for (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide?
The canonical SMILES for (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide is CO[C@H]1CCS(=O)(=O)[C@H]1C(C)C.
What is the InChIKey of (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide?
The InChIKey is GIMJGOOJNVATFM-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O3S/c1-6(2)8-7(11-3)4-5-12(8,9)10/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide?
(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide is sourced from PubChem (CID 59959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).