3-pyridin-2-ylsulfonylpropan-1-ol

C8H11NO3S — CID 54271342

IUPAC3-pyridin-2-ylsulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccccn1
InChIInChI=1S/C8H11NO3S/c10-6-3-7-13(11,12)8-4-1-2-5-9-8/h1-2,4-5,10H,3,6-7H2
InChIKeyZIIZSHAEQROYCR-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.24
Rot. Bonds4

About 3-pyridin-2-ylsulfonylpropan-1-ol

3-pyridin-2-ylsulfonylpropan-1-ol (PubChem CID 54271342) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-pyridin-2-ylsulfonylpropan-1-ol.

Molecular Properties

Compound Name3-pyridin-2-ylsulfonylpropan-1-ol
PubChem CID54271342
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name3-pyridin-2-ylsulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccccn1
InChIInChI=1S/C8H11NO3S/c10-6-3-7-13(11,12)8-4-1-2-5-9-8/h1-2,4-5,10H,3,6-7H2
InChIKeyZIIZSHAEQROYCR-UHFFFAOYSA-N
XLogP0.24
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylsulfonylpropan-1-ol?
The IUPAC name of 3-pyridin-2-ylsulfonylpropan-1-ol (CID 54271342) is 3-pyridin-2-ylsulfonylpropan-1-ol.
What is the SMILES notation for 3-pyridin-2-ylsulfonylpropan-1-ol?
The canonical SMILES for 3-pyridin-2-ylsulfonylpropan-1-ol is O=S(=O)(CCCO)c1ccccn1.
What is the InChIKey of 3-pyridin-2-ylsulfonylpropan-1-ol?
The InChIKey is ZIIZSHAEQROYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-6-3-7-13(11,12)8-4-1-2-5-9-8/h1-2,4-5,10H,3,6-7H2.
What are the key properties of 3-pyridin-2-ylsulfonylpropan-1-ol?
3-pyridin-2-ylsulfonylpropan-1-ol has a molecular weight of 201.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylsulfonylpropan-1-ol is sourced from PubChem (CID 54271342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).