5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol

C12H17NO3S — CID 117391532

IUPAC5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(C2(CN)CCC2)cc1O
InChIInChI=1S/C12H17NO3S/c1-17(15,16)11-4-3-9(7-10(11)14)12(8-13)5-2-6-12/h3-4,7,14H,2,5-6,8,13H2,1H3
InChIKeyDASTVICFVJJCSM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.18
Rot. Bonds3

About 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol

5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol (PubChem CID 117391532) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
PubChem CID117391532
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(C2(CN)CCC2)cc1O
InChIInChI=1S/C12H17NO3S/c1-17(15,16)11-4-3-9(7-10(11)14)12(8-13)5-2-6-12/h3-4,7,14H,2,5-6,8,13H2,1H3
InChIKeyDASTVICFVJJCSM-UHFFFAOYSA-N
XLogP1.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117437284
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
CID 117113179
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
5-(1-isocyanatocyclopentyl)-2-methylsulfonylphenol
CID 117451499
[4-[1-(aminomethyl)cyclobutyl]phenyl] methanesulfonate
CID 117391535
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
CID 117455576
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine
CID 117113431
[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117396628
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117426781
[1-(4-ethylsulfonylphenyl)cyclopentyl]methanamine
CID 82501815

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol?
The IUPAC name of 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol (CID 117391532) is 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol?
The canonical SMILES for 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol is CS(=O)(=O)c1ccc(C2(CN)CCC2)cc1O.
What is the InChIKey of 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol?
The InChIKey is DASTVICFVJJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(15,16)11-4-3-9(7-10(11)14)12(8-13)5-2-6-12/h3-4,7,14H,2,5-6,8,13H2,1H3.
What are the key properties of 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol?
5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol has a molecular weight of 255.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol is sourced from PubChem (CID 117391532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).