1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol

C10H15NO4S — CID 2842752

IUPAC1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol
SMILESCCOCC(O)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C10H15NO4S/c1-2-15-7-9(12)8-16(13,14)10-5-3-4-6-11-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeyLJQQWZNLEHHJTB-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.25
Rot. Bonds6

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

1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol (PubChem CID 2842752) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol
PubChem CID2842752
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol
SMILESCCOCC(O)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C10H15NO4S/c1-2-15-7-9(12)8-16(13,14)10-5-3-4-6-11-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeyLJQQWZNLEHHJTB-UHFFFAOYSA-N
XLogP0.25
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
The IUPAC name of 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol (CID 2842752) is 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol.
What is the SMILES notation for 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
The canonical SMILES for 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol is CCOCC(O)CS(=O)(=O)c1ccccn1.
What is the InChIKey of 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
The InChIKey is LJQQWZNLEHHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-2-15-7-9(12)8-16(13,14)10-5-3-4-6-11-10/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol has a molecular weight of 245.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-pyridin-2-ylsulfonylpropan-2-ol is sourced from PubChem (CID 2842752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).