(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol

C14H15NO2S — CID 83129622

IUPAC(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol
SMILESCOc1ccccc1Sc1ccc([C@@H](C)O)nc1
InChIInChI=1S/C14H15NO2S/c1-10(16)12-8-7-11(9-15-12)18-14-6-4-3-5-13(14)17-2/h3-10,16H,1-2H3/t10-/m1/s1
InChIKeyFEUWAHFYWNHMRN-SNVBAGLBSA-N
MW261.35 g/mol
LogP3.29
Rot. Bonds4

About (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol

(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol (PubChem CID 83129622) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol
PubChem CID83129622
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol
SMILESCOc1ccccc1Sc1ccc([C@@H](C)O)nc1
InChIInChI=1S/C14H15NO2S/c1-10(16)12-8-7-11(9-15-12)18-14-6-4-3-5-13(14)17-2/h3-10,16H,1-2H3/t10-/m1/s1
InChIKeyFEUWAHFYWNHMRN-SNVBAGLBSA-N
XLogP3.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol
CID 83128819
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 83128395
(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 107783424
1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
CID 61290166
(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 104604414
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
CID 83129606
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 83128499

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol (CID 83129622) is (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol is COc1ccccc1Sc1ccc([C@@H](C)O)nc1.
What is the InChIKey of (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol?
The InChIKey is FEUWAHFYWNHMRN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(16)12-8-7-11(9-15-12)18-14-6-4-3-5-13(14)17-2/h3-10,16H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol?
(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol has a molecular weight of 261.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol is sourced from PubChem (CID 83129622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).