2,3,3-trimethylbutan-2-ylsulfonylcyclopentane

C12H24O2S — CID 71106121

IUPAC2,3,3-trimethylbutan-2-ylsulfonylcyclopentane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H24O2S/c1-11(2,3)12(4,5)15(13,14)10-8-6-7-9-10/h10H,6-9H2,1-5H3
InChIKeyKXWMVKSTTYSSIY-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.17
Rot. Bonds2

About 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane

2,3,3-trimethylbutan-2-ylsulfonylcyclopentane (PubChem CID 71106121) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane.

Molecular Properties

Compound Name2,3,3-trimethylbutan-2-ylsulfonylcyclopentane
PubChem CID71106121
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name2,3,3-trimethylbutan-2-ylsulfonylcyclopentane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H24O2S/c1-11(2,3)12(4,5)15(13,14)10-8-6-7-9-10/h10H,6-9H2,1-5H3
InChIKeyKXWMVKSTTYSSIY-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane?
The IUPAC name of 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane (CID 71106121) is 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane.
What is the SMILES notation for 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane?
The canonical SMILES for 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane is CC(C)(C)C(C)(C)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane?
The InChIKey is KXWMVKSTTYSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-11(2,3)12(4,5)15(13,14)10-8-6-7-9-10/h10H,6-9H2,1-5H3.
What are the key properties of 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane?
2,3,3-trimethylbutan-2-ylsulfonylcyclopentane has a molecular weight of 232.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbutan-2-ylsulfonylcyclopentane is sourced from PubChem (CID 71106121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).