3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane

C11H20O3S — CID 160885022

IUPAC3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane
SMILESCC(C)(C)C1(S(=O)(=O)C2(C)COC2)CC1
InChIInChI=1S/C11H20O3S/c1-9(2,3)11(5-6-11)15(12,13)10(4)7-14-8-10/h5-8H2,1-4H3
InChIKeyCKHNKWZMBVVXAV-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.77
Rot. Bonds2

About 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane

3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane (PubChem CID 160885022) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane.

Molecular Properties

Compound Name3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane
PubChem CID160885022
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane
SMILESCC(C)(C)C1(S(=O)(=O)C2(C)COC2)CC1
InChIInChI=1S/C11H20O3S/c1-9(2,3)11(5-6-11)15(12,13)10(4)7-14-8-10/h5-8H2,1-4H3
InChIKeyCKHNKWZMBVVXAV-UHFFFAOYSA-N
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane?
The IUPAC name of 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane (CID 160885022) is 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane.
What is the SMILES notation for 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane?
The canonical SMILES for 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane is CC(C)(C)C1(S(=O)(=O)C2(C)COC2)CC1.
What is the InChIKey of 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane?
The InChIKey is CKHNKWZMBVVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-9(2,3)11(5-6-11)15(12,13)10(4)7-14-8-10/h5-8H2,1-4H3.
What are the key properties of 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane?
3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane has a molecular weight of 232.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane is sourced from PubChem (CID 160885022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).