ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide

C13H30O4S2 — CID 162069522

IUPACethane;thiane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC.CC.O=S1(=O)CCCC1.O=S1(=O)CCCCC1
InChIInChI=1S/C5H10O2S.C4H8O2S.2C2H6/c6-8(7)4-2-1-3-5-8;5-7(6)3-1-2-4-7;2*1-2/h1-5H2;1-4H2;2*1-2H3
InChIKeyZAWUCPCINWIZBO-UHFFFAOYSA-N
MW314.51 g/mol
LogP2.83
Rot. Bonds

About ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide

ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide (PubChem CID 162069522) has the molecular formula C13H30O4S2 and a molecular weight of 314.51 g/mol. Its IUPAC name is ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide.

Molecular Properties

Compound Nameethane;thiane 1,1-dioxide;thiolane 1,1-dioxide
PubChem CID162069522
Molecular FormulaC13H30O4S2
Molecular Weight314.51 g/mol
Exact Mass314.16
IUPAC Nameethane;thiane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC.CC.O=S1(=O)CCCC1.O=S1(=O)CCCCC1
InChIInChI=1S/C5H10O2S.C4H8O2S.2C2H6/c6-8(7)4-2-1-3-5-8;5-7(6)3-1-2-4-7;2*1-2/h1-5H2;1-4H2;2*1-2H3
InChIKeyZAWUCPCINWIZBO-UHFFFAOYSA-N
XLogP2.83
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide?
The IUPAC name of ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide (CID 162069522) is ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide.
What is the SMILES notation for ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide?
The canonical SMILES for ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide is CC.CC.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.
What is the InChIKey of ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide?
The InChIKey is ZAWUCPCINWIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.C4H8O2S.2C2H6/c6-8(7)4-2-1-3-5-8;5-7(6)3-1-2-4-7;2*1-2/h1-5H2;1-4H2;2*1-2H3.
What are the key properties of ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide?
ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide has a molecular weight of 314.51 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide is sourced from PubChem (CID 162069522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).