3-methylsulfonylcyclopentan-1-ol

C6H12O3S — CID 64725093

IUPAC3-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCC(O)C1
InChIInChI=1S/C6H12O3S/c1-10(8,9)6-3-2-5(7)4-6/h5-7H,2-4H2,1H3
InChIKeyOBRKSOQORKLGDB-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.06
Rot. Bonds1

About 3-methylsulfonylcyclopentan-1-ol

3-methylsulfonylcyclopentan-1-ol (PubChem CID 64725093) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name3-methylsulfonylcyclopentan-1-ol
PubChem CID64725093
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCC(O)C1
InChIInChI=1S/C6H12O3S/c1-10(8,9)6-3-2-5(7)4-6/h5-7H,2-4H2,1H3
InChIKeyOBRKSOQORKLGDB-UHFFFAOYSA-N
XLogP-0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 3-methylsulfonylcyclopentan-1-ol (CID 64725093) is 3-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 3-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 3-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCC(O)C1.
What is the InChIKey of 3-methylsulfonylcyclopentan-1-ol?
The InChIKey is OBRKSOQORKLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(8,9)6-3-2-5(7)4-6/h5-7H,2-4H2,1H3.
What are the key properties of 3-methylsulfonylcyclopentan-1-ol?
3-methylsulfonylcyclopentan-1-ol has a molecular weight of 164.23 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 64725093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).