1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane

C8H16O2S — CID 122414284

IUPAC1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
SMILESCC(C)C1CC1CS(C)(=O)=O
InChIInChI=1S/C8H16O2S/c1-6(2)8-4-7(8)5-11(3,9)10/h6-8H,4-5H2,1-3H3
InChIKeyDDIAGXQILDINSA-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.32
Rot. Bonds3

About 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane

1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane (PubChem CID 122414284) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
PubChem CID122414284
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
SMILESCC(C)C1CC1CS(C)(=O)=O
InChIInChI=1S/C8H16O2S/c1-6(2)8-4-7(8)5-11(3,9)10/h6-8H,4-5H2,1-3H3
InChIKeyDDIAGXQILDINSA-UHFFFAOYSA-N
XLogP1.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane (CID 122414284) is 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane is CC(C)C1CC1CS(C)(=O)=O.
What is the InChIKey of 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane?
The InChIKey is DDIAGXQILDINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6(2)8-4-7(8)5-11(3,9)10/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane?
1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane has a molecular weight of 176.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 122414284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).