3-(1-aminocyclopentyl)-2-methylsulfonylphenol

C12H17NO3S — CID 117391524

IUPAC3-(1-aminocyclopentyl)-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1C1(N)CCCC1
InChIInChI=1S/C12H17NO3S/c1-17(15,16)11-9(5-4-6-10(11)14)12(13)7-2-3-8-12/h4-6,14H,2-3,7-8,13H2,1H3
InChIKeyDJSKCCSJXRZINC-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.52
Rot. Bonds2

About 3-(1-aminocyclopentyl)-2-methylsulfonylphenol

3-(1-aminocyclopentyl)-2-methylsulfonylphenol (PubChem CID 117391524) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(1-aminocyclopentyl)-2-methylsulfonylphenol.

Molecular Properties

Compound Name3-(1-aminocyclopentyl)-2-methylsulfonylphenol
PubChem CID117391524
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(1-aminocyclopentyl)-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1C1(N)CCCC1
InChIInChI=1S/C12H17NO3S/c1-17(15,16)11-9(5-4-6-10(11)14)12(13)7-2-3-8-12/h4-6,14H,2-3,7-8,13H2,1H3
InChIKeyDJSKCCSJXRZINC-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

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Related Compounds

3-(1-aminocyclobutyl)-2-methylphenol
CID 117277633
2-(1-aminocyclopentyl)-5-methylsulfonylphenol
CID 117391526
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117465574
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117412067
2-(1-aminocyclohexyl)-4-methylsulfanylphenol
CID 117347880
3-(1-aminocyclohexyl)-1-methylindol-7-ol
CID 82664794
5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
CID 117355604

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopentyl)-2-methylsulfonylphenol?
The IUPAC name of 3-(1-aminocyclopentyl)-2-methylsulfonylphenol (CID 117391524) is 3-(1-aminocyclopentyl)-2-methylsulfonylphenol.
What is the SMILES notation for 3-(1-aminocyclopentyl)-2-methylsulfonylphenol?
The canonical SMILES for 3-(1-aminocyclopentyl)-2-methylsulfonylphenol is CS(=O)(=O)c1c(O)cccc1C1(N)CCCC1.
What is the InChIKey of 3-(1-aminocyclopentyl)-2-methylsulfonylphenol?
The InChIKey is DJSKCCSJXRZINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(15,16)11-9(5-4-6-10(11)14)12(13)7-2-3-8-12/h4-6,14H,2-3,7-8,13H2,1H3.
What are the key properties of 3-(1-aminocyclopentyl)-2-methylsulfonylphenol?
3-(1-aminocyclopentyl)-2-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 3-(1-aminocyclopentyl)-2-methylsulfonylphenol is sourced from PubChem (CID 117391524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).