1-cyclopropyl-3-methylsulfonylpropan-2-ol

C7H14O3S — CID 112692656

IUPAC1-cyclopropyl-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)CC1CC1
InChIInChI=1S/C7H14O3S/c1-11(9,10)5-7(8)4-6-2-3-6/h6-8H,2-5H2,1H3
InChIKeyDYEYKUIVJOQWID-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.19
Rot. Bonds4

About 1-cyclopropyl-3-methylsulfonylpropan-2-ol

1-cyclopropyl-3-methylsulfonylpropan-2-ol (PubChem CID 112692656) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-methylsulfonylpropan-2-ol
PubChem CID112692656
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name1-cyclopropyl-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)CC1CC1
InChIInChI=1S/C7H14O3S/c1-11(9,10)5-7(8)4-6-2-3-6/h6-8H,2-5H2,1H3
InChIKeyDYEYKUIVJOQWID-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-2-methylsulfonylethanol
CID 115643076
1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
1-cyclopropylhexane-2,5-diol
CID 90882458
3-cyclopropylpropane-1,2-diol
CID 13302066
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
1-(2-methylpropyl)-4-(2-methylsulfonylethyl)cyclohexane
CID 175274886
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
1-methylsulfonylhex-4-yn-2-ol
CID 115601028
4-methyl-1-methylsulfonylhexan-2-ol
CID 115601617
1-(4-aminocyclohexyl)-2-methylsulfonylethanol;2,2,2-trifluoroacetic acid
CID 138688262
1-amino-2-methylsulfonylethanol
CID 151548996
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1-cyclopropyl-3-methylsulfonylpropan-2-ol (CID 112692656) is 1-cyclopropyl-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-methylsulfonylpropan-2-ol is CS(=O)(=O)CC(O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-methylsulfonylpropan-2-ol?
The InChIKey is DYEYKUIVJOQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-11(9,10)5-7(8)4-6-2-3-6/h6-8H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-3-methylsulfonylpropan-2-ol?
1-cyclopropyl-3-methylsulfonylpropan-2-ol has a molecular weight of 178.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 112692656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).