1-(2-hydroxyethylsulfonyl)propan-2-ol

C5H12O4S — CID 59405768

IUPAC1-(2-hydroxyethylsulfonyl)propan-2-ol
SMILESCC(O)CS(=O)(=O)CCO
InChIInChI=1S/C5H12O4S/c1-5(7)4-10(8,9)3-2-6/h5-7H,2-4H2,1H3
InChIKeyQXKIHUFISFHAMP-UHFFFAOYSA-N
MW168.21 g/mol
LogP-1.23
Rot. Bonds4

About 1-(2-hydroxyethylsulfonyl)propan-2-ol

1-(2-hydroxyethylsulfonyl)propan-2-ol (PubChem CID 59405768) has the molecular formula C5H12O4S and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(2-hydroxyethylsulfonyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylsulfonyl)propan-2-ol
PubChem CID59405768
Molecular FormulaC5H12O4S
Molecular Weight168.21 g/mol
Exact Mass168.05
IUPAC Name1-(2-hydroxyethylsulfonyl)propan-2-ol
SMILESCC(O)CS(=O)(=O)CCO
InChIInChI=1S/C5H12O4S/c1-5(7)4-10(8,9)3-2-6/h5-7H,2-4H2,1H3
InChIKeyQXKIHUFISFHAMP-UHFFFAOYSA-N
XLogP-1.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylsulfonyl)propan-2-ol?
The IUPAC name of 1-(2-hydroxyethylsulfonyl)propan-2-ol (CID 59405768) is 1-(2-hydroxyethylsulfonyl)propan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylsulfonyl)propan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylsulfonyl)propan-2-ol is CC(O)CS(=O)(=O)CCO.
What is the InChIKey of 1-(2-hydroxyethylsulfonyl)propan-2-ol?
The InChIKey is QXKIHUFISFHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4S/c1-5(7)4-10(8,9)3-2-6/h5-7H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethylsulfonyl)propan-2-ol?
1-(2-hydroxyethylsulfonyl)propan-2-ol has a molecular weight of 168.21 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylsulfonyl)propan-2-ol is sourced from PubChem (CID 59405768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).