3-butylsulfonylpropan-1-ol

C7H16O3S — CID 3341631

IUPAC3-butylsulfonylpropan-1-ol
SMILESCCCCS(=O)(=O)CCCO
InChIInChI=1S/C7H16O3S/c1-2-3-6-11(9,10)7-4-5-8/h8H,2-7H2,1H3
InChIKeyVECDOADWWZLTHR-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.58
Rot. Bonds6

About 3-butylsulfonylpropan-1-ol

3-butylsulfonylpropan-1-ol (PubChem CID 3341631) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-butylsulfonylpropan-1-ol.

Molecular Properties

Compound Name3-butylsulfonylpropan-1-ol
PubChem CID3341631
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name3-butylsulfonylpropan-1-ol
SMILESCCCCS(=O)(=O)CCCO
InChIInChI=1S/C7H16O3S/c1-2-3-6-11(9,10)7-4-5-8/h8H,2-7H2,1H3
InChIKeyVECDOADWWZLTHR-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonylpropan-1-ol?
The IUPAC name of 3-butylsulfonylpropan-1-ol (CID 3341631) is 3-butylsulfonylpropan-1-ol.
What is the SMILES notation for 3-butylsulfonylpropan-1-ol?
The canonical SMILES for 3-butylsulfonylpropan-1-ol is CCCCS(=O)(=O)CCCO.
What is the InChIKey of 3-butylsulfonylpropan-1-ol?
The InChIKey is VECDOADWWZLTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-2-3-6-11(9,10)7-4-5-8/h8H,2-7H2,1H3.
What are the key properties of 3-butylsulfonylpropan-1-ol?
3-butylsulfonylpropan-1-ol has a molecular weight of 180.27 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonylpropan-1-ol is sourced from PubChem (CID 3341631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).