2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide

C10H20O4S2 — CID 67095661

IUPAC2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC1(C)CCCS1(=O)=O.O=S1(=O)CCCC1
InChIInChI=1S/C6H12O2S.C4H8O2S/c1-6(2)4-3-5-9(6,7)8;5-7(6)3-1-2-4-7/h3-5H2,1-2H3;1-4H2
InChIKeySLLDJSXXNCIAKU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.17
Rot. Bonds

About 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide

2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide (PubChem CID 67095661) has the molecular formula C10H20O4S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
PubChem CID67095661
Molecular FormulaC10H20O4S2
Molecular Weight268.40 g/mol
Exact Mass268.08
IUPAC Name2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC1(C)CCCS1(=O)=O.O=S1(=O)CCCC1
InChIInChI=1S/C6H12O2S.C4H8O2S/c1-6(2)4-3-5-9(6,7)8;5-7(6)3-1-2-4-7/h3-5H2,1-2H3;1-4H2
InChIKeySLLDJSXXNCIAKU-UHFFFAOYSA-N
XLogP1.17
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Di(propan-2-yl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 269573
3-[(2,5-Dimethylthiolan-3-yl)methylsulfonyl]-4-ethyl-2,5-dimethylthiolane
CID 57983838
2-Methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 70631385
2-(2-Methylpropyl)-3-[2-(2-methylpropyl)-1,1-dioxothiolan-3-yl]sulfanylthiolane 1,1-dioxide
CID 90401454
2-Ethyl-3-(2-ethylthiolan-3-yl)sulfonylthiolane
CID 90401468
2-Ethyl-3-(2-ethyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
CID 90401469
3-(1,1-Dioxo-2-propylthiolan-3-yl)sulfonyl-2-propylthiolane 1,1-dioxide
CID 90401508
2-Methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane
CID 90401553
2-Methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
CID 90401554
3,4-Dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
CID 138473496
3-Pentylsulfonylthiolane 1,1-dioxide
CID 140756052
2-Methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane
CID 140969878

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The IUPAC name of 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide (CID 67095661) is 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The canonical SMILES for 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide is CC1(C)CCCS1(=O)=O.O=S1(=O)CCCC1.
What is the InChIKey of 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The InChIKey is SLLDJSXXNCIAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C4H8O2S/c1-6(2)4-3-5-9(6,7)8;5-7(6)3-1-2-4-7/h3-5H2,1-2H3;1-4H2.
What are the key properties of 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide has a molecular weight of 268.40 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide is sourced from PubChem (CID 67095661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).