1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane

C9H18O2S — CID 130465511

IUPAC1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane
SMILESCC(C)C1(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C9H18O2S/c1-7(2)9(5-6-9)12(10,11)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyPOMSQJAKGNNOIJ-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.00
Rot. Bonds3

About 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane

1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane (PubChem CID 130465511) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane.

Molecular Properties

Compound Name1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane
PubChem CID130465511
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane
SMILESCC(C)C1(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C9H18O2S/c1-7(2)9(5-6-9)12(10,11)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyPOMSQJAKGNNOIJ-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane?
The IUPAC name of 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane (CID 130465511) is 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane.
What is the SMILES notation for 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane?
The canonical SMILES for 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane is CC(C)C1(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane?
The InChIKey is POMSQJAKGNNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-7(2)9(5-6-9)12(10,11)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane?
1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane has a molecular weight of 190.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane is sourced from PubChem (CID 130465511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).