1-cyclopentyl-3-methylsulfonylpropan-1-ol

C9H18O3S — CID 62607097

IUPAC1-cyclopentyl-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)C1CCCC1
InChIInChI=1S/C9H18O3S/c1-13(11,12)7-6-9(10)8-4-2-3-5-8/h8-10H,2-7H2,1H3
InChIKeySFFSIRLGGLUIRB-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.97
Rot. Bonds4

About 1-cyclopentyl-3-methylsulfonylpropan-1-ol

1-cyclopentyl-3-methylsulfonylpropan-1-ol (PubChem CID 62607097) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-methylsulfonylpropan-1-ol
PubChem CID62607097
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name1-cyclopentyl-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)C1CCCC1
InChIInChI=1S/C9H18O3S/c1-13(11,12)7-6-9(10)8-4-2-3-5-8/h8-10H,2-7H2,1H3
InChIKeySFFSIRLGGLUIRB-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-cyclopentyl-3-methylsulfonylpropan-1-ol (CID 62607097) is 1-cyclopentyl-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-cyclopentyl-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-cyclopentyl-3-methylsulfonylpropan-1-ol is CS(=O)(=O)CCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-methylsulfonylpropan-1-ol?
The InChIKey is SFFSIRLGGLUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-13(11,12)7-6-9(10)8-4-2-3-5-8/h8-10H,2-7H2,1H3.
What are the key properties of 1-cyclopentyl-3-methylsulfonylpropan-1-ol?
1-cyclopentyl-3-methylsulfonylpropan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 62607097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).