1-ethylsulfonyl-2-methylpropane

C6H14O2S — CID 824011

IUPAC1-ethylsulfonyl-2-methylpropane
SMILESCCS(=O)(=O)CC(C)C
InChIInChI=1S/C6H14O2S/c1-4-9(7,8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyNJAKRNRJVHIIDT-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.08
Rot. Bonds3

About 1-ethylsulfonyl-2-methylpropane

1-ethylsulfonyl-2-methylpropane (PubChem CID 824011) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-methylpropane.

Molecular Properties

Compound Name1-ethylsulfonyl-2-methylpropane
PubChem CID824011
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name1-ethylsulfonyl-2-methylpropane
SMILESCCS(=O)(=O)CC(C)C
InChIInChI=1S/C6H14O2S/c1-4-9(7,8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyNJAKRNRJVHIIDT-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-methylpropane?
The IUPAC name of 1-ethylsulfonyl-2-methylpropane (CID 824011) is 1-ethylsulfonyl-2-methylpropane.
What is the SMILES notation for 1-ethylsulfonyl-2-methylpropane?
The canonical SMILES for 1-ethylsulfonyl-2-methylpropane is CCS(=O)(=O)CC(C)C.
What is the InChIKey of 1-ethylsulfonyl-2-methylpropane?
The InChIKey is NJAKRNRJVHIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-4-9(7,8)5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-2-methylpropane?
1-ethylsulfonyl-2-methylpropane has a molecular weight of 150.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-methylpropane is sourced from PubChem (CID 824011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).