1-benzyl-2-methylsulfonylcyclopentan-1-ol

C13H18O3S — CID 65049982

IUPAC1-benzyl-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1ccccc1
InChIInChI=1S/C13H18O3S/c1-17(15,16)12-8-5-9-13(12,14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3
InChIKeyWIEIRURKDVWICI-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.56
Rot. Bonds3

About 1-benzyl-2-methylsulfonylcyclopentan-1-ol

1-benzyl-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65049982) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-benzyl-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-benzyl-2-methylsulfonylcyclopentan-1-ol
PubChem CID65049982
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name1-benzyl-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1ccccc1
InChIInChI=1S/C13H18O3S/c1-17(15,16)12-8-5-9-13(12,14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3
InChIKeyWIEIRURKDVWICI-UHFFFAOYSA-N
XLogP1.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-benzyl-2-methylsulfonylcyclopentan-1-ol (CID 65049982) is 1-benzyl-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-benzyl-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-benzyl-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is WIEIRURKDVWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-17(15,16)12-8-5-9-13(12,14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3.
What are the key properties of 1-benzyl-2-methylsulfonylcyclopentan-1-ol?
1-benzyl-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65049982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).