3-(3-methoxybutyl)thietane 1,1-dioxide

C8H16O3S — CID 155624822

IUPAC3-(3-methoxybutyl)thietane 1,1-dioxide
SMILESCOC(C)CCC1CS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-7(11-2)3-4-8-5-12(9,10)6-8/h7-8H,3-6H2,1-2H3
InChIKeyQYMHKZLCUOTJDV-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds4

About 3-(3-methoxybutyl)thietane 1,1-dioxide

3-(3-methoxybutyl)thietane 1,1-dioxide (PubChem CID 155624822) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(3-methoxybutyl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-methoxybutyl)thietane 1,1-dioxide
PubChem CID155624822
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-(3-methoxybutyl)thietane 1,1-dioxide
SMILESCOC(C)CCC1CS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-7(11-2)3-4-8-5-12(9,10)6-8/h7-8H,3-6H2,1-2H3
InChIKeyQYMHKZLCUOTJDV-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybutyl)thietane 1,1-dioxide?
The IUPAC name of 3-(3-methoxybutyl)thietane 1,1-dioxide (CID 155624822) is 3-(3-methoxybutyl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(3-methoxybutyl)thietane 1,1-dioxide?
The canonical SMILES for 3-(3-methoxybutyl)thietane 1,1-dioxide is COC(C)CCC1CS(=O)(=O)C1.
What is the InChIKey of 3-(3-methoxybutyl)thietane 1,1-dioxide?
The InChIKey is QYMHKZLCUOTJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(11-2)3-4-8-5-12(9,10)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(3-methoxybutyl)thietane 1,1-dioxide?
3-(3-methoxybutyl)thietane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybutyl)thietane 1,1-dioxide is sourced from PubChem (CID 155624822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).