(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol

C15H22O2S — CID 14120595

IUPAC(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
SMILESC[C@H](CO)[C@H](O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C15H22O2S/c1-12(11-16)14(17)15(9-5-6-10-15)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3/t12-,14+/m1/s1
InChIKeyZONMWHBBPWBPAE-OCCSQVGLSA-N
MW266.41 g/mol
LogP3.08
Rot. Bonds5

About (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol

(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol (PubChem CID 14120595) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol.

Molecular Properties

Compound Name(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
PubChem CID14120595
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
SMILESC[C@H](CO)[C@H](O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C15H22O2S/c1-12(11-16)14(17)15(9-5-6-10-15)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3/t12-,14+/m1/s1
InChIKeyZONMWHBBPWBPAE-OCCSQVGLSA-N
XLogP3.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylsulfanyl)-2-octanol
CID 11276474
2,2-Dimethyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10912935
1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
CID 11064924
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
2-Methyl-2-phenylsulfanylheptan-3-ol
CID 11356852
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
(3R,4S)-2-(benzenesulfonyl)-3-methylnon-1-en-4-ol
CID 14891593
(4R,5S)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891604
(4R,5R)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891605
(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
CID 15257345
(1S,2R)-3-(benzenesulfonyl)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 134931126

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
The IUPAC name of (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol (CID 14120595) is (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol.
What is the SMILES notation for (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
The canonical SMILES for (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol is C[C@H](CO)[C@H](O)C1(Sc2ccccc2)CCCC1.
What is the InChIKey of (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
The InChIKey is ZONMWHBBPWBPAE-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22O2S/c1-12(11-16)14(17)15(9-5-6-10-15)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3/t12-,14+/m1/s1.
What are the key properties of (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol has a molecular weight of 266.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol is sourced from PubChem (CID 14120595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).