1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine

C13H19NO3S — CID 117426783

IUPAC1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCOc1cc(C2(N)CCC2)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C13H19NO3S/c1-9-7-12(18(3,15)16)10(8-11(9)17-2)13(14)5-4-6-13/h7-8H,4-6,14H2,1-3H3
InChIKeyDATGSCMTKIDKNJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.75
Rot. Bonds3

About 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine

1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine (PubChem CID 117426783) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
PubChem CID117426783
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCOc1cc(C2(N)CCC2)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C13H19NO3S/c1-9-7-12(18(3,15)16)10(8-11(9)17-2)13(14)5-4-6-13/h7-8H,4-6,14H2,1-3H3
InChIKeyDATGSCMTKIDKNJ-UHFFFAOYSA-N
XLogP1.75
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine
CID 117455699
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
5-(1-aminocyclopropyl)-2-methyl-4-methylsulfonylphenol
CID 117355604
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 117459726
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(1-isocyanatocyclobutyl)-4,5-dimethoxy-2-methylsulfonylbenzene
CID 117496207
1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine
CID 117407145

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine (CID 117426783) is 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine is COc1cc(C2(N)CCC2)c(S(C)(=O)=O)cc1C.
What is the InChIKey of 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine?
The InChIKey is DATGSCMTKIDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-7-12(18(3,15)16)10(8-11(9)17-2)13(14)5-4-6-13/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine?
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117426783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).