1-ethylsulfonylcyclopropane-1-carbaldehyde

C6H10O3S — CID 99990468

IUPAC1-ethylsulfonylcyclopropane-1-carbaldehyde
SMILESCCS(=O)(=O)C1(C=O)CC1
InChIInChI=1S/C6H10O3S/c1-2-10(8,9)6(5-7)3-4-6/h5H,2-4H2,1H3
InChIKeyGADVIYGGXODNPL-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.15
Rot. Bonds3

About 1-ethylsulfonylcyclopropane-1-carbaldehyde

1-ethylsulfonylcyclopropane-1-carbaldehyde (PubChem CID 99990468) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-ethylsulfonylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-ethylsulfonylcyclopropane-1-carbaldehyde
PubChem CID99990468
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name1-ethylsulfonylcyclopropane-1-carbaldehyde
SMILESCCS(=O)(=O)C1(C=O)CC1
InChIInChI=1S/C6H10O3S/c1-2-10(8,9)6(5-7)3-4-6/h5H,2-4H2,1H3
InChIKeyGADVIYGGXODNPL-UHFFFAOYSA-N
XLogP0.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.15
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 1-ethylsulfonylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-ethylsulfonylcyclopropane-1-carbaldehyde (CID 99990468) is 1-ethylsulfonylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-ethylsulfonylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-ethylsulfonylcyclopropane-1-carbaldehyde is CCS(=O)(=O)C1(C=O)CC1.
What is the InChIKey of 1-ethylsulfonylcyclopropane-1-carbaldehyde?
The InChIKey is GADVIYGGXODNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-10(8,9)6(5-7)3-4-6/h5H,2-4H2,1H3.
What are the key properties of 1-ethylsulfonylcyclopropane-1-carbaldehyde?
1-ethylsulfonylcyclopropane-1-carbaldehyde has a molecular weight of 162.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 99990468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).