(3R)-3-methylsulfanylthiolane 1,1-dioxide

C5H10O2S2 — CID 51415830

IUPAC(3R)-3-methylsulfanylthiolane 1,1-dioxide
SMILESCS[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10O2S2/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyXHLGKFGGHZLAMS-RXMQYKEDSA-N
MW166.27 g/mol
LogP0.54
Rot. Bonds1

About (3R)-3-methylsulfanylthiolane 1,1-dioxide

(3R)-3-methylsulfanylthiolane 1,1-dioxide (PubChem CID 51415830) has the molecular formula C5H10O2S2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3R)-3-methylsulfanylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-methylsulfanylthiolane 1,1-dioxide
PubChem CID51415830
Molecular FormulaC5H10O2S2
Molecular Weight166.27 g/mol
Exact Mass166.01
IUPAC Name(3R)-3-methylsulfanylthiolane 1,1-dioxide
SMILESCS[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10O2S2/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyXHLGKFGGHZLAMS-RXMQYKEDSA-N
XLogP0.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
CID 98143387
3-cyclohexylsulfanylthiolane 1,1-dioxide
CID 83381402
3-prop-2-enylsulfanylthiolane 1,1-dioxide
CID 3771616
3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine
CID 66231196
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
1-[3-(1,1-dioxothiolan-3-yl)sulfanylphenyl]ethanone
CID 64662312
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
3-(1-methylimidazol-2-yl)sulfanylthiolane 1,1-dioxide
CID 5128091
2-(1,1-dioxothiolan-3-yl)sulfanylpyrimidine-4,6-diamine
CID 60705290

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylsulfanylthiolane 1,1-dioxide?
The IUPAC name of (3R)-3-methylsulfanylthiolane 1,1-dioxide (CID 51415830) is (3R)-3-methylsulfanylthiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-methylsulfanylthiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-methylsulfanylthiolane 1,1-dioxide is CS[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-3-methylsulfanylthiolane 1,1-dioxide?
The InChIKey is XHLGKFGGHZLAMS-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10O2S2/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methylsulfanylthiolane 1,1-dioxide?
(3R)-3-methylsulfanylthiolane 1,1-dioxide has a molecular weight of 166.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylsulfanylthiolane 1,1-dioxide is sourced from PubChem (CID 51415830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).