2-(cyclopropylmethylsulfonyl)acetaldehyde

C6H10O3S — CID 155192752

IUPAC2-(cyclopropylmethylsulfonyl)acetaldehyde
SMILESO=CCS(=O)(=O)CC1CC1
InChIInChI=1S/C6H10O3S/c7-3-4-10(8,9)5-6-1-2-6/h3,6H,1-2,4-5H2
InChIKeyAHNKHKOMYKQLJK-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.01
Rot. Bonds4

About 2-(cyclopropylmethylsulfonyl)acetaldehyde

2-(cyclopropylmethylsulfonyl)acetaldehyde (PubChem CID 155192752) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonyl)acetaldehyde.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonyl)acetaldehyde
PubChem CID155192752
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-(cyclopropylmethylsulfonyl)acetaldehyde
SMILESO=CCS(=O)(=O)CC1CC1
InChIInChI=1S/C6H10O3S/c7-3-4-10(8,9)5-6-1-2-6/h3,6H,1-2,4-5H2
InChIKeyAHNKHKOMYKQLJK-UHFFFAOYSA-N
XLogP0.01
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.01
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-(cyclopropylmethylsulfonyl)acetaldehyde?
The IUPAC name of 2-(cyclopropylmethylsulfonyl)acetaldehyde (CID 155192752) is 2-(cyclopropylmethylsulfonyl)acetaldehyde.
What is the SMILES notation for 2-(cyclopropylmethylsulfonyl)acetaldehyde?
The canonical SMILES for 2-(cyclopropylmethylsulfonyl)acetaldehyde is O=CCS(=O)(=O)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfonyl)acetaldehyde?
The InChIKey is AHNKHKOMYKQLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-3-4-10(8,9)5-6-1-2-6/h3,6H,1-2,4-5H2.
What are the key properties of 2-(cyclopropylmethylsulfonyl)acetaldehyde?
2-(cyclopropylmethylsulfonyl)acetaldehyde has a molecular weight of 162.21 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonyl)acetaldehyde is sourced from PubChem (CID 155192752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).