1-(cyclopenten-1-yl)-2-methylsulfonylethanone

C8H12O3S — CID 12559931

IUPAC1-(cyclopenten-1-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)C1=CCCC1
InChIInChI=1S/C8H12O3S/c1-12(10,11)6-8(9)7-4-2-3-5-7/h4H,2-3,5-6H2,1H3
InChIKeySGTORXSDBGHVBG-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.71
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-methylsulfonylethanone

1-(cyclopenten-1-yl)-2-methylsulfonylethanone (PubChem CID 12559931) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-methylsulfonylethanone
PubChem CID12559931
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name1-(cyclopenten-1-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)C1=CCCC1
InChIInChI=1S/C8H12O3S/c1-12(10,11)6-8(9)7-4-2-3-5-7/h4H,2-3,5-6H2,1H3
InChIKeySGTORXSDBGHVBG-UHFFFAOYSA-N
XLogP0.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-methylsulfonylethanone (CID 12559931) is 1-(cyclopenten-1-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-methylsulfonylethanone?
The InChIKey is SGTORXSDBGHVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c1-12(10,11)6-8(9)7-4-2-3-5-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-methylsulfonylethanone?
1-(cyclopenten-1-yl)-2-methylsulfonylethanone has a molecular weight of 188.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 12559931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).