1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol

C11H17NO2S — CID 4987134

IUPAC1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCC(C)OCC(O)CSc1ccccn1
InChIInChI=1S/C11H17NO2S/c1-9(2)14-7-10(13)8-15-11-5-3-4-6-12-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyLBSSOCLMOSAKIJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.96
Rot. Bonds6

About 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol

1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 4987134) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID4987134
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCC(C)OCC(O)CSc1ccccn1
InChIInChI=1S/C11H17NO2S/c1-9(2)14-7-10(13)8-15-11-5-3-4-6-12-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyLBSSOCLMOSAKIJ-UHFFFAOYSA-N
XLogP1.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol (CID 4987134) is 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol is CC(C)OCC(O)CSc1ccccn1.
What is the InChIKey of 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is LBSSOCLMOSAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)14-7-10(13)8-15-11-5-3-4-6-12-11/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol?
1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 4987134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).