cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde

C6H10O3S — CID 99990748

IUPACcis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde
SMILESCCS(=O)(=O)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C6H10O3S/c1-2-10(8,9)6-3-5(6)4-7/h4-6H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyHLHPJPISQCWUDG-RITPCOANSA-N
MW162.21 g/mol
LogP0.01
Rot. Bonds3

About cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde

cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde (PubChem CID 99990748) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde
PubChem CID99990748
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Namecis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde
SMILESCCS(=O)(=O)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C6H10O3S/c1-2-10(8,9)6-3-5(6)4-7/h4-6H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyHLHPJPISQCWUDG-RITPCOANSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethylsulfonylcyclopropane
CID 12063392
[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine
CID 99990768
cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050
2-ethylsulfonylcyclopropane-1-carboxylic acid
CID 102549962
2-ethylsulfonylcyclopropane-1-carbonitrile
CID 102568340
trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde
CID 125425586
4-ethylsulfonyl-3-methylcyclohexan-1-amine
CID 165466810
trans-(1S,2R)-2-(2-methylsulfonylpropan-2-yl)cyclopropane-1-carbaldehyde
CID 125425514
3-ethylsulfonyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 72716338
cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
CID 125425466
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
CID 101227517
1-ethylsulfonyl-3-fluorocyclohexane
CID 66796442

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde (CID 99990748) is cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde is CCS(=O)(=O)[C@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde?
The InChIKey is HLHPJPISQCWUDG-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-10(8,9)6-3-5(6)4-7/h4-6H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde?
cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde has a molecular weight of 162.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 99990748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).