2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one

C14H16O2S — CID 10682027

IUPAC2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one
SMILESCc1cc(C)c([S@](=O)C2=CCCC2=O)c(C)c1
InChIInChI=1S/C14H16O2S/c1-9-7-10(2)14(11(3)8-9)17(16)13-6-4-5-12(13)15/h6-8H,4-5H2,1-3H3/t17-/m1/s1
InChIKeyCVTFGMOIWHQVAE-QGZVFWFLSA-N
MW248.35 g/mol
LogP2.97
Rot. Bonds2

About 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one

2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one (PubChem CID 10682027) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one
PubChem CID10682027
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one
SMILESCc1cc(C)c([S@](=O)C2=CCCC2=O)c(C)c1
InChIInChI=1S/C14H16O2S/c1-9-7-10(2)14(11(3)8-9)17(16)13-6-4-5-12(13)15/h6-8H,4-5H2,1-3H3/t17-/m1/s1
InChIKeyCVTFGMOIWHQVAE-QGZVFWFLSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one (CID 10682027) is 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one is Cc1cc(C)c([S@](=O)C2=CCCC2=O)c(C)c1.
What is the InChIKey of 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one?
The InChIKey is CVTFGMOIWHQVAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C14H16O2S/c1-9-7-10(2)14(11(3)8-9)17(16)13-6-4-5-12(13)15/h6-8H,4-5H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one?
2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one has a molecular weight of 248.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,4,6-trimethylphenyl)sulfinyl]cyclopent-2-en-1-one is sourced from PubChem (CID 10682027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).