[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol

C12H16O4S — CID 99999694

IUPAC[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCc1ccc(S(=O)(=O)[C@@H]2CC2(CO)CO)cc1
InChIInChI=1S/C12H16O4S/c1-9-2-4-10(5-3-9)17(15,16)11-6-12(11,7-13)8-14/h2-5,11,13-14H,6-8H2,1H3/t11-/m1/s1
InChIKeyDHTSKXZBOGDXAD-LLVKDONJSA-N
MW256.32 g/mol
LogP0.51
Rot. Bonds4

About [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol

[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol (PubChem CID 99999694) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
PubChem CID99999694
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCc1ccc(S(=O)(=O)[C@@H]2CC2(CO)CO)cc1
InChIInChI=1S/C12H16O4S/c1-9-2-4-10(5-3-9)17(15,16)11-6-12(11,7-13)8-14/h2-5,11,13-14H,6-8H2,1H3/t11-/m1/s1
InChIKeyDHTSKXZBOGDXAD-LLVKDONJSA-N
XLogP0.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
trans-(1S,2S)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 99999413
[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
CID 102568969
trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528
cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999781
1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 102568995
trans-(1R,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999847
(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol
CID 101107088
trans-(1S,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999804
cis-(1R,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999871
trans-(1S,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999874

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The IUPAC name of [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol (CID 99999694) is [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol.
What is the SMILES notation for [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The canonical SMILES for [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol is Cc1ccc(S(=O)(=O)[C@@H]2CC2(CO)CO)cc1.
What is the InChIKey of [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The InChIKey is DHTSKXZBOGDXAD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O4S/c1-9-2-4-10(5-3-9)17(15,16)11-6-12(11,7-13)8-14/h2-5,11,13-14H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol?
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol has a molecular weight of 256.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol is sourced from PubChem (CID 99999694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).