2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene

C11H20O2S2 — CID 141469368

IUPAC2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene
SMILESCC(C)C1=CCC(C)(CCS(C)(=O)=O)S1
InChIInChI=1S/C11H20O2S2/c1-9(2)10-5-6-11(3,14-10)7-8-15(4,12)13/h5,9H,6-8H2,1-4H3
InChIKeyKSSQWUIBASCVLA-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene

2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene (PubChem CID 141469368) has the molecular formula C11H20O2S2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene
PubChem CID141469368
Molecular FormulaC11H20O2S2
Molecular Weight248.41 g/mol
Exact Mass248.09
IUPAC Name2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene
SMILESCC(C)C1=CCC(C)(CCS(C)(=O)=O)S1
InChIInChI=1S/C11H20O2S2/c1-9(2)10-5-6-11(3,14-10)7-8-15(4,12)13/h5,9H,6-8H2,1-4H3
InChIKeyKSSQWUIBASCVLA-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene?
The IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene (CID 141469368) is 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene is CC(C)C1=CCC(C)(CCS(C)(=O)=O)S1.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene?
The InChIKey is KSSQWUIBASCVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S2/c1-9(2)10-5-6-11(3,14-10)7-8-15(4,12)13/h5,9H,6-8H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene?
2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene has a molecular weight of 248.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfonylethyl)-5-propan-2-yl-3H-thiophene is sourced from PubChem (CID 141469368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).