trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde

C10H10O3S — CID 99999364

IUPACtrans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O3S/c11-7-8-6-10(8)14(12,13)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2/t8-,10-/m1/s1
InChIKeyKUTNLWOFAGJDLI-PSASIEDQSA-N
MW210.25 g/mol
LogP1.05
Rot. Bonds3

About trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde

trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde (PubChem CID 99999364) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
PubChem CID99999364
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Nametrans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O3S/c11-7-8-6-10(8)14(12,13)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2/t8-,10-/m1/s1
InChIKeyKUTNLWOFAGJDLI-PSASIEDQSA-N
XLogP1.05
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
9-(benzenesulfonyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 74340992
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
(2-pentylcyclopropyl)sulfonylbenzene
CID 10467407
[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
CID 11728948
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
(1S,2S,3S,5S)-3-(benzenesulfonyl)-1,5-dimethyl-1-oxido-2-phenylpyrrolidin-1-ium
CID 11809715
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde (CID 99999364) is trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde is O=C[C@H]1C[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde?
The InChIKey is KUTNLWOFAGJDLI-PSASIEDQSA-N. The full InChI is InChI=1S/C10H10O3S/c11-7-8-6-10(8)14(12,13)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2/t8-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde?
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde has a molecular weight of 210.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 99999364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).