tert-butylsulfonylcyclopropane

C7H14O2S — CID 59118252

IUPACtert-butylsulfonylcyclopropane
SMILESCC(C)(C)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14O2S/c1-7(2,3)10(8,9)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyQGOVGXUJOYWHBJ-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.36
Rot. Bonds1

About tert-butylsulfonylcyclopropane

tert-butylsulfonylcyclopropane (PubChem CID 59118252) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is tert-butylsulfonylcyclopropane.

Molecular Properties

Compound Nametert-butylsulfonylcyclopropane
PubChem CID59118252
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Nametert-butylsulfonylcyclopropane
SMILESCC(C)(C)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14O2S/c1-7(2,3)10(8,9)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyQGOVGXUJOYWHBJ-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfonylcyclopropane?
The IUPAC name of tert-butylsulfonylcyclopropane (CID 59118252) is tert-butylsulfonylcyclopropane.
What is the SMILES notation for tert-butylsulfonylcyclopropane?
The canonical SMILES for tert-butylsulfonylcyclopropane is CC(C)(C)S(=O)(=O)C1CC1.
What is the InChIKey of tert-butylsulfonylcyclopropane?
The InChIKey is QGOVGXUJOYWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-7(2,3)10(8,9)6-4-5-6/h6H,4-5H2,1-3H3.
What are the key properties of tert-butylsulfonylcyclopropane?
tert-butylsulfonylcyclopropane has a molecular weight of 162.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfonylcyclopropane is sourced from PubChem (CID 59118252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).