1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol

C15H17NO2S — CID 110897911

IUPAC1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
SMILESCc1ccc(SCC(O)COc2ccccc2)nc1
InChIInChI=1S/C15H17NO2S/c1-12-7-8-15(16-9-12)19-11-13(17)10-18-14-5-3-2-4-6-14/h2-9,13,17H,10-11H2,1H3
InChIKeyPOEBLRMUTRQHBC-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.92
Rot. Bonds6

About 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol

1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol (PubChem CID 110897911) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
PubChem CID110897911
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
SMILESCc1ccc(SCC(O)COc2ccccc2)nc1
InChIInChI=1S/C15H17NO2S/c1-12-7-8-15(16-9-12)19-11-13(17)10-18-14-5-3-2-4-6-14/h2-9,13,17H,10-11H2,1H3
InChIKeyPOEBLRMUTRQHBC-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-2-pyridinyl)sulfanyl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 78894231
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842271
1-(2,5-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859408
(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol
CID 935771
1-[4-[(2R)-2-hydroxy-3-pyridin-2-ylsulfanylpropoxy]phenyl]ethanone
CID 42108830
(2S)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108845
(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108844
1-phenoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 2842739
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol (CID 110897911) is 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol is Cc1ccc(SCC(O)COc2ccccc2)nc1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol?
The InChIKey is POEBLRMUTRQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-7-8-15(16-9-12)19-11-13(17)10-18-14-5-3-2-4-6-14/h2-9,13,17H,10-11H2,1H3.
What are the key properties of 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol?
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol has a molecular weight of 275.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 110897911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).