[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol

C15H16O4S2 — CID 11393172

IUPAC[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@@H](CO)O[C@H]1c1cccs1
InChIInChI=1S/C15H16O4S2/c16-10-11-9-14(15(19-11)13-7-4-8-20-13)21(17,18)12-5-2-1-3-6-12/h1-8,11,14-16H,9-10H2/t11-,14+,15-/m0/s1
InChIKeyUVEQBWINOFLBCD-GLQYFDAESA-N
MW324.42 g/mol
LogP2.41
Rot. Bonds4

About [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol

[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol (PubChem CID 11393172) has the molecular formula C15H16O4S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol
PubChem CID11393172
Molecular FormulaC15H16O4S2
Molecular Weight324.42 g/mol
Exact Mass324.05
IUPAC Name[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@@H](CO)O[C@H]1c1cccs1
InChIInChI=1S/C15H16O4S2/c16-10-11-9-14(15(19-11)13-7-4-8-20-13)21(17,18)12-5-2-1-3-6-12/h1-8,11,14-16H,9-10H2/t11-,14+,15-/m0/s1
InChIKeyUVEQBWINOFLBCD-GLQYFDAESA-N
XLogP2.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(benzenesulfonyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
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[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
4-(benzenesulfonyl)-6-methyloxan-3-ol
CID 101176023
1-[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-thiophen-2-ylethanone
CID 98193102
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
3-thiophen-2-yloxirane-2-carbonitrile
CID 130405464
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
(2S,3R)-2-benzyl-3-thiophen-2-yloxirane
CID 134996090
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
CID 10911682
4-(benzenesulfonyl)-7-thiophen-2-yl-1,4-thiazepane
CID 90633023
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol (CID 11393172) is [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol is O=S(=O)(c1ccccc1)[C@@H]1C[C@@H](CO)O[C@H]1c1cccs1.
What is the InChIKey of [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol?
The InChIKey is UVEQBWINOFLBCD-GLQYFDAESA-N. The full InChI is InChI=1S/C15H16O4S2/c16-10-11-9-14(15(19-11)13-7-4-8-20-13)21(17,18)12-5-2-1-3-6-12/h1-8,11,14-16H,9-10H2/t11-,14+,15-/m0/s1.
What are the key properties of [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol?
[(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol has a molecular weight of 324.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-4-(benzenesulfonyl)-5-thiophen-2-yloxolan-2-yl]methanol is sourced from PubChem (CID 11393172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).