1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol

C15H17NO2S — CID 112586546

IUPAC1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2ccccc2OC)cn1
InChIInChI=1S/C15H17NO2S/c1-3-13(17)12-9-8-11(10-16-12)19-15-7-5-4-6-14(15)18-2/h4-10,13,17H,3H2,1-2H3
InChIKeyXJMPPZUVHDOHDR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.68
Rot. Bonds5

About 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol

1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 112586546) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID112586546
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2ccccc2OC)cn1
InChIInChI=1S/C15H17NO2S/c1-3-13(17)12-9-8-11(10-16-12)19-15-7-5-4-6-14(15)18-2/h4-10,13,17H,3H2,1-2H3
InChIKeyXJMPPZUVHDOHDR-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol
CID 83129622
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 112586546) is 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Sc2ccccc2OC)cn1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is XJMPPZUVHDOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-13(17)12-9-8-11(10-16-12)19-15-7-5-4-6-14(15)18-2/h4-10,13,17H,3H2,1-2H3.
What are the key properties of 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol?
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 275.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112586546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).