2-methylpropylsulfonylcyclopropane

C7H14O2S — CID 58333627

IUPAC2-methylpropylsulfonylcyclopropane
SMILESCC(C)CS(=O)(=O)C1CC1
InChIInChI=1S/C7H14O2S/c1-6(2)5-10(8,9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyKBTBEJJMGQTWAZ-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.22
Rot. Bonds3

About 2-methylpropylsulfonylcyclopropane

2-methylpropylsulfonylcyclopropane (PubChem CID 58333627) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-methylpropylsulfonylcyclopropane.

Molecular Properties

Compound Name2-methylpropylsulfonylcyclopropane
PubChem CID58333627
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-methylpropylsulfonylcyclopropane
SMILESCC(C)CS(=O)(=O)C1CC1
InChIInChI=1S/C7H14O2S/c1-6(2)5-10(8,9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyKBTBEJJMGQTWAZ-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylsulfonylcyclopropane?
The IUPAC name of 2-methylpropylsulfonylcyclopropane (CID 58333627) is 2-methylpropylsulfonylcyclopropane.
What is the SMILES notation for 2-methylpropylsulfonylcyclopropane?
The canonical SMILES for 2-methylpropylsulfonylcyclopropane is CC(C)CS(=O)(=O)C1CC1.
What is the InChIKey of 2-methylpropylsulfonylcyclopropane?
The InChIKey is KBTBEJJMGQTWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6(2)5-10(8,9)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methylpropylsulfonylcyclopropane?
2-methylpropylsulfonylcyclopropane has a molecular weight of 162.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfonylcyclopropane is sourced from PubChem (CID 58333627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).