[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine

C13H19NO3S — CID 117426781

IUPAC[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
SMILESCOc1cccc(S(C)(=O)=O)c1C1(CN)CCC1
InChIInChI=1S/C13H19NO3S/c1-17-10-5-3-6-11(18(2,15)16)12(10)13(9-14)7-4-8-13/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyBBJOHSUGEOLAGU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.48
Rot. Bonds4

About [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine

[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine (PubChem CID 117426781) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
PubChem CID117426781
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
SMILESCOc1cccc(S(C)(=O)=O)c1C1(CN)CCC1
InChIInChI=1S/C13H19NO3S/c1-17-10-5-3-6-11(18(2,15)16)12(10)13(9-14)7-4-8-13/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyBBJOHSUGEOLAGU-UHFFFAOYSA-N
XLogP1.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methoxy-6-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117457810
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine (CID 117426781) is [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine is COc1cccc(S(C)(=O)=O)c1C1(CN)CCC1.
What is the InChIKey of [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine?
The InChIKey is BBJOHSUGEOLAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-10-5-3-6-11(18(2,15)16)12(10)13(9-14)7-4-8-13/h3,5-6H,4,7-9,14H2,1-2H3.
What are the key properties of [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine?
[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117426781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).