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

C13H25NO3S — CID 79543937

IUPAC2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESCCCCS(=O)(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H25NO3S/c1-2-3-10-18(16,17)14-9-5-7-12(14)11-6-4-8-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyOOJAGDITTHSXEP-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.74
Rot. Bonds5

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

2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol (PubChem CID 79543937) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
PubChem CID79543937
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESCCCCS(=O)(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H25NO3S/c1-2-3-10-18(16,17)14-9-5-7-12(14)11-6-4-8-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyOOJAGDITTHSXEP-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol (CID 79543937) is 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol is CCCCS(=O)(=O)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol?
The InChIKey is OOJAGDITTHSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-2-3-10-18(16,17)14-9-5-7-12(14)11-6-4-8-13(11)15/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol?
2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 79543937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).