2-methylbutan-2-ylsulfonylmethylcyclopropane

C9H18O2S — CID 89078448

IUPAC2-methylbutan-2-ylsulfonylmethylcyclopropane
SMILESCCC(C)(C)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H18O2S/c1-4-9(2,3)12(10,11)7-8-5-6-8/h8H,4-7H2,1-3H3
InChIKeyLUZRDXKCPPYLIS-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.00
Rot. Bonds4

About 2-methylbutan-2-ylsulfonylmethylcyclopropane

2-methylbutan-2-ylsulfonylmethylcyclopropane (PubChem CID 89078448) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-methylbutan-2-ylsulfonylmethylcyclopropane.

Molecular Properties

Compound Name2-methylbutan-2-ylsulfonylmethylcyclopropane
PubChem CID89078448
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2-methylbutan-2-ylsulfonylmethylcyclopropane
SMILESCCC(C)(C)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H18O2S/c1-4-9(2,3)12(10,11)7-8-5-6-8/h8H,4-7H2,1-3H3
InChIKeyLUZRDXKCPPYLIS-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ylsulfonylmethylcyclopropane?
The IUPAC name of 2-methylbutan-2-ylsulfonylmethylcyclopropane (CID 89078448) is 2-methylbutan-2-ylsulfonylmethylcyclopropane.
What is the SMILES notation for 2-methylbutan-2-ylsulfonylmethylcyclopropane?
The canonical SMILES for 2-methylbutan-2-ylsulfonylmethylcyclopropane is CCC(C)(C)S(=O)(=O)CC1CC1.
What is the InChIKey of 2-methylbutan-2-ylsulfonylmethylcyclopropane?
The InChIKey is LUZRDXKCPPYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-4-9(2,3)12(10,11)7-8-5-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-methylbutan-2-ylsulfonylmethylcyclopropane?
2-methylbutan-2-ylsulfonylmethylcyclopropane has a molecular weight of 190.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ylsulfonylmethylcyclopropane is sourced from PubChem (CID 89078448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).