[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol

C12H16O3S — CID 124746466

IUPAC[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
SMILESCCS(=O)(=O)[C@@H]1[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C12H16O3S/c1-2-16(14,15)12-10(8-13)11(12)9-6-4-3-5-7-9/h3-7,10-13H,2,8H2,1H3/t10-,11-,12-/m1/s1
InChIKeyLNPABLZLDPMIGA-IJLUTSLNSA-N
MW240.32 g/mol
LogP1.20
Rot. Bonds4

About [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol

[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol (PubChem CID 124746466) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
PubChem CID124746466
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
SMILESCCS(=O)(=O)[C@@H]1[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C12H16O3S/c1-2-16(14,15)12-10(8-13)11(12)9-6-4-3-5-7-9/h3-7,10-13H,2,8H2,1H3/t10-,11-,12-/m1/s1
InChIKeyLNPABLZLDPMIGA-IJLUTSLNSA-N
XLogP1.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
(1R,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropane-1-carbothioamide
CID 124859433
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 124858397
[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102570681
2-ethylsulfonyl-1-(hydroxymethyl)-3-phenylcyclopropane-1-carboxylic acid
CID 102569112
[1-(aminomethyl)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 102569104
(1S,2S,3S)-2-ethylsulfonyl-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 124748534

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol?
The IUPAC name of [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol (CID 124746466) is [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol is CCS(=O)(=O)[C@@H]1[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol?
The InChIKey is LNPABLZLDPMIGA-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H16O3S/c1-2-16(14,15)12-10(8-13)11(12)9-6-4-3-5-7-9/h3-7,10-13H,2,8H2,1H3/t10-,11-,12-/m1/s1.
What are the key properties of [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol?
[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol has a molecular weight of 240.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol is sourced from PubChem (CID 124746466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).