3-propan-2-yloxy-2H-thiete 1,1-dioxide

C6H10O3S — CID 13168989

IUPAC3-propan-2-yloxy-2H-thiete 1,1-dioxide
SMILESCC(C)OC1=CS(=O)(=O)C1
InChIInChI=1S/C6H10O3S/c1-5(2)9-6-3-10(7,8)4-6/h3,5H,4H2,1-2H3
InChIKeyXEQFWCYOZHTSRP-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.68
Rot. Bonds2

About 3-propan-2-yloxy-2H-thiete 1,1-dioxide

3-propan-2-yloxy-2H-thiete 1,1-dioxide (PubChem CID 13168989) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-propan-2-yloxy-2H-thiete 1,1-dioxide.

Molecular Properties

Compound Name3-propan-2-yloxy-2H-thiete 1,1-dioxide
PubChem CID13168989
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name3-propan-2-yloxy-2H-thiete 1,1-dioxide
SMILESCC(C)OC1=CS(=O)(=O)C1
InChIInChI=1S/C6H10O3S/c1-5(2)9-6-3-10(7,8)4-6/h3,5H,4H2,1-2H3
InChIKeyXEQFWCYOZHTSRP-UHFFFAOYSA-N
XLogP0.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

InChI=1/C5H8O2S/c1-5-4-8(6)3-2-7-5/h4H,2-3H2,1H
CID 15073789
InChI=1/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H
CID 15939947
3-[(2-methylpropan-2-yl)oxy]-2H-thiete 1,1-dioxide
CID 134932887
2-(Ethylsulfonylmethylidene)oxirane
CID 57016156
2-(2-Ethenylsulfonylethoxy)propane
CID 121263534
2-Ethoxy-3-methylsulfonylbut-1-ene
CID 123567053
2-Ethoxy-3-propan-2-ylsulfonylprop-1-ene
CID 158746630
4-Ethoxy-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 12331989
3-methoxy-2H-thiete 1,1-dioxide
CID 12333711

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-2H-thiete 1,1-dioxide?
The IUPAC name of 3-propan-2-yloxy-2H-thiete 1,1-dioxide (CID 13168989) is 3-propan-2-yloxy-2H-thiete 1,1-dioxide.
What is the SMILES notation for 3-propan-2-yloxy-2H-thiete 1,1-dioxide?
The canonical SMILES for 3-propan-2-yloxy-2H-thiete 1,1-dioxide is CC(C)OC1=CS(=O)(=O)C1.
What is the InChIKey of 3-propan-2-yloxy-2H-thiete 1,1-dioxide?
The InChIKey is XEQFWCYOZHTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-5(2)9-6-3-10(7,8)4-6/h3,5H,4H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-2H-thiete 1,1-dioxide?
3-propan-2-yloxy-2H-thiete 1,1-dioxide has a molecular weight of 162.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-2H-thiete 1,1-dioxide is sourced from PubChem (CID 13168989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).