2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane

C12H22O2S3 — CID 141005864

IUPAC2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane
SMILESCC1CCSC1(C)S(=O)(=O)C1(C)SCCC1C
InChIInChI=1S/C12H22O2S3/c1-9-5-7-15-11(9,3)17(13,14)12(4)10(2)6-8-16-12/h9-10H,5-8H2,1-4H3
InChIKeyOAWMYEBPNXTOPT-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.38
Rot. Bonds2

About 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane

2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane (PubChem CID 141005864) has the molecular formula C12H22O2S3 and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane.

Molecular Properties

Compound Name2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane
PubChem CID141005864
Molecular FormulaC12H22O2S3
Molecular Weight294.51 g/mol
Exact Mass294.08
IUPAC Name2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane
SMILESCC1CCSC1(C)S(=O)(=O)C1(C)SCCC1C
InChIInChI=1S/C12H22O2S3/c1-9-5-7-15-11(9,3)17(13,14)12(4)10(2)6-8-16-12/h9-10H,5-8H2,1-4H3
InChIKeyOAWMYEBPNXTOPT-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-2-butan-2-yl-2-methyl-1,3-dithiolane 1-oxide
CID 134926867
(1R,2S)-2-butan-2-yl-2-methyl-1,3-dithiolane 1-oxide
CID 134994463
2,2-Di(propan-2-yl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 269573
4-Ethyl-2,2-dimethylthiolane 1,1-dioxide
CID 20158703
3-Ethyl-2-propan-2-ylthiolane 1,1-dioxide
CID 53653278
3-Ethyl-2,2-dimethylthiolane 1,1-dioxide
CID 53733311
2,2,4,5-Tetramethylthiolane 1,1-dioxide
CID 54264007
3-[(2,5-Dimethylthiolan-3-yl)methylsulfonyl]-4-ethyl-2,5-dimethylthiolane
CID 57983838
2,2,3,4-Tetramethylthiolane 1,1-dioxide
CID 66729951
3-(2-Methylpropyl)thiolane 1,1-dioxide
CID 67002360
2,2-Dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 67095661
2,3-Diethylthiolane 1,1-dioxide
CID 68664835

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane?
The IUPAC name of 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane (CID 141005864) is 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane.
What is the SMILES notation for 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane?
The canonical SMILES for 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane is CC1CCSC1(C)S(=O)(=O)C1(C)SCCC1C.
What is the InChIKey of 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane?
The InChIKey is OAWMYEBPNXTOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S3/c1-9-5-7-15-11(9,3)17(13,14)12(4)10(2)6-8-16-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane?
2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane has a molecular weight of 294.51 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane is sourced from PubChem (CID 141005864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).