2,5-diethyl-3-methylthiolane 1,1-dioxide

C9H18O2S — CID 21438119

IUPAC2,5-diethyl-3-methylthiolane 1,1-dioxide
SMILESCCC1CC(C)C(CC)S1(=O)=O
InChIInChI=1S/C9H18O2S/c1-4-8-6-7(3)9(5-2)12(8,10)11/h7-9H,4-6H2,1-3H3
InChIKeyDIJOWLJVIGUMBK-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.00
Rot. Bonds2

About 2,5-diethyl-3-methylthiolane 1,1-dioxide

2,5-diethyl-3-methylthiolane 1,1-dioxide (PubChem CID 21438119) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2,5-diethyl-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,5-diethyl-3-methylthiolane 1,1-dioxide
PubChem CID21438119
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2,5-diethyl-3-methylthiolane 1,1-dioxide
SMILESCCC1CC(C)C(CC)S1(=O)=O
InChIInChI=1S/C9H18O2S/c1-4-8-6-7(3)9(5-2)12(8,10)11/h7-9H,4-6H2,1-3H3
InChIKeyDIJOWLJVIGUMBK-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-methylthiolane 1,1-dioxide?
The IUPAC name of 2,5-diethyl-3-methylthiolane 1,1-dioxide (CID 21438119) is 2,5-diethyl-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2,5-diethyl-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 2,5-diethyl-3-methylthiolane 1,1-dioxide is CCC1CC(C)C(CC)S1(=O)=O.
What is the InChIKey of 2,5-diethyl-3-methylthiolane 1,1-dioxide?
The InChIKey is DIJOWLJVIGUMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-4-8-6-7(3)9(5-2)12(8,10)11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,5-diethyl-3-methylthiolane 1,1-dioxide?
2,5-diethyl-3-methylthiolane 1,1-dioxide has a molecular weight of 190.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 21438119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).