3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide

C7H12O3S — CID 134932887

IUPAC3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide
SMILESCC(C)(C)OC1=CS(=O)(=O)C1
InChIInChI=1S/C7H12O3S/c1-7(2,3)10-6-4-11(8,9)5-6/h4H,5H2,1-3H3
InChIKeyPKMHKKOZWWDBSD-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.07
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide

3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide (PubChem CID 134932887) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide
PubChem CID134932887
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide
SMILESCC(C)(C)OC1=CS(=O)(=O)C1
InChIInChI=1S/C7H12O3S/c1-7(2,3)10-6-4-11(8,9)5-6/h4H,5H2,1-3H3
InChIKeyPKMHKKOZWWDBSD-UHFFFAOYSA-N
XLogP1.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2H-thiete 1,1-dioxide
CID 12333711
3-propan-2-yloxy-2H-thiete 1,1-dioxide
CID 13168989

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide (CID 134932887) is 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide is CC(C)(C)OC1=CS(=O)(=O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide?
The InChIKey is PKMHKKOZWWDBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-7(2,3)10-6-4-11(8,9)5-6/h4H,5H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide?
3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide has a molecular weight of 176.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide is sourced from PubChem (CID 134932887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).