5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol

C11H15NO3S — CID 117355604

IUPAC5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
SMILESCc1cc(S(C)(=O)=O)c(C2(N)CC2)cc1O
InChIInChI=1S/C11H15NO3S/c1-7-5-10(16(2,14)15)8(6-9(7)13)11(12)3-4-11/h5-6,13H,3-4,12H2,1-2H3
InChIKeyYJGBVBWYNTXTOH-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.05
Rot. Bonds2

About 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol

5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol (PubChem CID 117355604) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
PubChem CID117355604
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
SMILESCc1cc(S(C)(=O)=O)c(C2(N)CC2)cc1O
InChIInChI=1S/C11H15NO3S/c1-7-5-10(16(2,14)15)8(6-9(7)13)11(12)3-4-11/h5-6,13H,3-4,12H2,1-2H3
InChIKeyYJGBVBWYNTXTOH-UHFFFAOYSA-N
XLogP1.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxy-4-methyl-2-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117497679
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
2-methyl-5-methylsulfonylbenzene-1,4-diol
CID 10867377
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
2-(1-aminocyclopentyl)-5-methylsulfonylphenol
CID 117391526
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
5-(4-aminobutyl)-2-methyl-4-methylsulfonylphenol
CID 117397109
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117412067
3-(1-aminocyclopentyl)-2-methylsulfonylphenol
CID 117391524
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol?
The IUPAC name of 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol (CID 117355604) is 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol?
The canonical SMILES for 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol is Cc1cc(S(C)(=O)=O)c(C2(N)CC2)cc1O.
What is the InChIKey of 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol?
The InChIKey is YJGBVBWYNTXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-5-10(16(2,14)15)8(6-9(7)13)11(12)3-4-11/h5-6,13H,3-4,12H2,1-2H3.
What are the key properties of 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol?
5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol has a molecular weight of 241.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol is sourced from PubChem (CID 117355604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).