2-(1-aminocyclopentyl)-5-methylsulfonylphenol

C12H17NO3S — CID 117391526

IUPAC2-(1-aminocyclopentyl)-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(C2(N)CCCC2)c(O)c1
InChIInChI=1S/C12H17NO3S/c1-17(15,16)9-4-5-10(11(14)8-9)12(13)6-2-3-7-12/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyWRYKIHCGMUAFHT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.52
Rot. Bonds2

About 2-(1-aminocyclopentyl)-5-methylsulfonylphenol

2-(1-aminocyclopentyl)-5-methylsulfonylphenol (PubChem CID 117391526) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-methylsulfonylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-methylsulfonylphenol
PubChem CID117391526
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(1-aminocyclopentyl)-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(C2(N)CCCC2)c(O)c1
InChIInChI=1S/C12H17NO3S/c1-17(15,16)9-4-5-10(11(14)8-9)12(13)6-2-3-7-12/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyWRYKIHCGMUAFHT-UHFFFAOYSA-N
XLogP1.52
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-5-methylsulfonylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-5-methylsulfonylphenol (CID 117391526) is 2-(1-aminocyclopentyl)-5-methylsulfonylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-methylsulfonylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-methylsulfonylphenol is CS(=O)(=O)c1ccc(C2(N)CCCC2)c(O)c1.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-methylsulfonylphenol?
The InChIKey is WRYKIHCGMUAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(15,16)9-4-5-10(11(14)8-9)12(13)6-2-3-7-12/h4-5,8,14H,2-3,6-7,13H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-5-methylsulfonylphenol?
2-(1-aminocyclopentyl)-5-methylsulfonylphenol has a molecular weight of 255.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-5-methylsulfonylphenol is sourced from PubChem (CID 117391526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).