1-cyclopentylideneethylsulfonylbenzene

C13H16O2S — CID 12022055

IUPAC1-cyclopentylideneethylsulfonylbenzene
SMILESCC(=C1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O2S/c1-11(12-7-5-6-8-12)16(14,15)13-9-3-2-4-10-13/h2-4,9-10H,5-8H2,1H3
InChIKeyOUVQPAKHVGQXJK-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.31
Rot. Bonds2

About 1-cyclopentylideneethylsulfonylbenzene

1-cyclopentylideneethylsulfonylbenzene (PubChem CID 12022055) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-cyclopentylideneethylsulfonylbenzene.

Molecular Properties

Compound Name1-cyclopentylideneethylsulfonylbenzene
PubChem CID12022055
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name1-cyclopentylideneethylsulfonylbenzene
SMILESCC(=C1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O2S/c1-11(12-7-5-6-8-12)16(14,15)13-9-3-2-4-10-13/h2-4,9-10H,5-8H2,1H3
InChIKeyOUVQPAKHVGQXJK-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylideneethylsulfonylbenzene?
The IUPAC name of 1-cyclopentylideneethylsulfonylbenzene (CID 12022055) is 1-cyclopentylideneethylsulfonylbenzene.
What is the SMILES notation for 1-cyclopentylideneethylsulfonylbenzene?
The canonical SMILES for 1-cyclopentylideneethylsulfonylbenzene is CC(=C1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-cyclopentylideneethylsulfonylbenzene?
The InChIKey is OUVQPAKHVGQXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-11(12-7-5-6-8-12)16(14,15)13-9-3-2-4-10-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 1-cyclopentylideneethylsulfonylbenzene?
1-cyclopentylideneethylsulfonylbenzene has a molecular weight of 236.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylideneethylsulfonylbenzene is sourced from PubChem (CID 12022055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).