2-cyclopentylsulfonylacetaldehyde

C7H12O3S — CID 66222613

IUPAC2-cyclopentylsulfonylacetaldehyde
SMILESO=CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C7H12O3S/c8-5-6-11(9,10)7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyKVPNTDXZNCGBJL-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.54
Rot. Bonds3

About 2-cyclopentylsulfonylacetaldehyde

2-cyclopentylsulfonylacetaldehyde (PubChem CID 66222613) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-cyclopentylsulfonylacetaldehyde.

Molecular Properties

Compound Name2-cyclopentylsulfonylacetaldehyde
PubChem CID66222613
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-cyclopentylsulfonylacetaldehyde
SMILESO=CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C7H12O3S/c8-5-6-11(9,10)7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyKVPNTDXZNCGBJL-UHFFFAOYSA-N
XLogP0.54
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonylacetaldehyde?
The IUPAC name of 2-cyclopentylsulfonylacetaldehyde (CID 66222613) is 2-cyclopentylsulfonylacetaldehyde.
What is the SMILES notation for 2-cyclopentylsulfonylacetaldehyde?
The canonical SMILES for 2-cyclopentylsulfonylacetaldehyde is O=CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonylacetaldehyde?
The InChIKey is KVPNTDXZNCGBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c8-5-6-11(9,10)7-3-1-2-4-7/h5,7H,1-4,6H2.
What are the key properties of 2-cyclopentylsulfonylacetaldehyde?
2-cyclopentylsulfonylacetaldehyde has a molecular weight of 176.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonylacetaldehyde is sourced from PubChem (CID 66222613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).