[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol

C11H14O4S — CID 99999155

IUPAC[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
SMILESO=S(=O)(c1ccccc1)[C@H]1CC1(CO)CO
InChIInChI=1S/C11H14O4S/c12-7-11(8-13)6-10(11)16(14,15)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-/m0/s1
InChIKeyNALIVWGPCYGXKH-JTQLQIEISA-N
MW242.30 g/mol
LogP0.20
Rot. Bonds4

About [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol

[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 99999155) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID99999155
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
SMILESO=S(=O)(c1ccccc1)[C@H]1CC1(CO)CO
InChIInChI=1S/C11H14O4S/c12-7-11(8-13)6-10(11)16(14,15)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-/m0/s1
InChIKeyNALIVWGPCYGXKH-JTQLQIEISA-N
XLogP0.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
CID 102568969
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
trans-(1S,2R)-2-(benzenesulfonyl)-1-phenylcyclopropane-1-carbonitrile
CID 11460276
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029
(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
CID 10934846
cis-(1R,2S)-2-(benzenesulfonyl)-1-(methoxymethyl)cyclopropane-1-carbonitrile
CID 99998980
(3R,4S,6R)-4-(benzenesulfonyl)-3-ethyl-6-methyloxan-3-ol
CID 101176021
trans-(1R,2R)-2-(benzenesulfonyl)-1-(ethoxymethyl)cyclopropane-1-carbonitrile
CID 99999000
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
6-(benzenesulfonyl)-2-oxaspiro[3.3]heptane
CID 86685334

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol (CID 99999155) is [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol is O=S(=O)(c1ccccc1)[C@H]1CC1(CO)CO.
What is the InChIKey of [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is NALIVWGPCYGXKH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O4S/c12-7-11(8-13)6-10(11)16(14,15)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-/m0/s1.
What are the key properties of [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol?
[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 242.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 99999155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).