2-methylsulfonylpropan-1-ol

C4H10O3S — CID 13039569

IUPAC2-methylsulfonylpropan-1-ol
SMILESCC(CO)S(C)(=O)=O
InChIInChI=1S/C4H10O3S/c1-4(3-5)8(2,6)7/h4-5H,3H2,1-2H3
InChIKeyQCKUTCUIBQEELL-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.59
Rot. Bonds2

About 2-methylsulfonylpropan-1-ol

2-methylsulfonylpropan-1-ol (PubChem CID 13039569) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name2-methylsulfonylpropan-1-ol
PubChem CID13039569
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name2-methylsulfonylpropan-1-ol
SMILESCC(CO)S(C)(=O)=O
InChIInChI=1S/C4H10O3S/c1-4(3-5)8(2,6)7/h4-5H,3H2,1-2H3
InChIKeyQCKUTCUIBQEELL-UHFFFAOYSA-N
XLogP-0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpropan-1-ol?
The IUPAC name of 2-methylsulfonylpropan-1-ol (CID 13039569) is 2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 2-methylsulfonylpropan-1-ol?
The canonical SMILES for 2-methylsulfonylpropan-1-ol is CC(CO)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpropan-1-ol?
The InChIKey is QCKUTCUIBQEELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-4(3-5)8(2,6)7/h4-5H,3H2,1-2H3.
What are the key properties of 2-methylsulfonylpropan-1-ol?
2-methylsulfonylpropan-1-ol has a molecular weight of 138.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 13039569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).