(3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide

C5H10O3S — CID 10820717

IUPAC(3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide
SMILESCC[C@@H]1OS(=O)(=O)[C@@H]1C
InChIInChI=1S/C5H10O3S/c1-3-5-4(2)9(6,7)8-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyYXBAKORCMKGUKX-UHNVWZDZSA-N
MW150.20 g/mol
LogP0.51
Rot. Bonds1

About (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide

(3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide (PubChem CID 10820717) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide.

Molecular Properties

Compound Name(3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide
PubChem CID10820717
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide
SMILESCC[C@@H]1OS(=O)(=O)[C@@H]1C
InChIInChI=1S/C5H10O3S/c1-3-5-4(2)9(6,7)8-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyYXBAKORCMKGUKX-UHNVWZDZSA-N
XLogP0.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-3,6-dimethyl-3a,5,6,6a-tetrahydro-3H-furo[3,2-c]oxathiole 1,1-dioxide
CID 154558058
(3S,4S)-3,4-diethyldioxetane
CID 71414825
3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 54523340
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
4-(1,3-diiodopropan-2-yloxy)-3,5-dimethyloxathiolane 2,2-dioxide
CID 131970539
3-hexyloxathiirane 2,2-dioxide
CID 123244013
5-ethyl-3,3a-dimethyl-3,5,6,6a-tetrahydrofuro[3,2-c]oxathiole 1,1-dioxide
CID 147494307
tert-butyl (4R,5S)-5-ethyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
CID 118529940
3,6-difluoro-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide
CID 86065882
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide?
The IUPAC name of (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide (CID 10820717) is (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide.
What is the SMILES notation for (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide?
The canonical SMILES for (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide is CC[C@@H]1OS(=O)(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide?
The InChIKey is YXBAKORCMKGUKX-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-5-4(2)9(6,7)8-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide?
(3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide has a molecular weight of 150.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethyl-3-methyloxathietane 2,2-dioxide is sourced from PubChem (CID 10820717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).