(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol

C13H18O2S — CID 167596869

IUPAC(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol
SMILESO=S(C[C@H](O)C1CCCC1)c1ccccc1
InChIInChI=1S/C13H18O2S/c14-13(11-6-4-5-7-11)10-16(15)12-8-2-1-3-9-12/h1-3,8-9,11,13-14H,4-7,10H2/t13-,16?/m0/s1
InChIKeyJENKTXAFRYLPCC-KNVGNIICSA-N
MW238.35 g/mol
LogP2.35
Rot. Bonds4

About (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol

(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol (PubChem CID 167596869) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol.

Molecular Properties

Compound Name(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol
PubChem CID167596869
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol
SMILESO=S(C[C@H](O)C1CCCC1)c1ccccc1
InChIInChI=1S/C13H18O2S/c14-13(11-6-4-5-7-11)10-16(15)12-8-2-1-3-9-12/h1-3,8-9,11,13-14H,4-7,10H2/t13-,16?/m0/s1
InChIKeyJENKTXAFRYLPCC-KNVGNIICSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
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CID 167627883
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
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1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea
CID 95347748
2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
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1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol?
The IUPAC name of (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol (CID 167596869) is (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol.
What is the SMILES notation for (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol?
The canonical SMILES for (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol is O=S(C[C@H](O)C1CCCC1)c1ccccc1.
What is the InChIKey of (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol?
The InChIKey is JENKTXAFRYLPCC-KNVGNIICSA-N. The full InChI is InChI=1S/C13H18O2S/c14-13(11-6-4-5-7-11)10-16(15)12-8-2-1-3-9-12/h1-3,8-9,11,13-14H,4-7,10H2/t13-,16?/m0/s1.
What are the key properties of (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol?
(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol has a molecular weight of 238.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(benzenesulfinyl)-1-cyclopentylethanol is sourced from PubChem (CID 167596869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).