2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol

C14H27NO3S — CID 79545152

IUPAC2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
SMILESCCCCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H27NO3S/c1-2-3-11-19(17,18)15-10-5-4-8-13(15)12-7-6-9-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyYWCYAHXEYSSJJF-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.13
Rot. Bonds5

About 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol

2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol (PubChem CID 79545152) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
PubChem CID79545152
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
SMILESCCCCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H27NO3S/c1-2-3-11-19(17,18)15-10-5-4-8-13(15)12-7-6-9-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyYWCYAHXEYSSJJF-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol (CID 79545152) is 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol is CCCCS(=O)(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
The InChIKey is YWCYAHXEYSSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-2-3-11-19(17,18)15-10-5-4-8-13(15)12-7-6-9-14(12)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol?
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 79545152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).