[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine

C12H16ClNO2S — CID 117437284

IUPAC[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
SMILESCS(=O)(=O)c1ccc(Cl)cc1C1(CN)CCC1
InChIInChI=1S/C12H16ClNO2S/c1-17(15,16)11-4-3-9(13)7-10(11)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyJKNWMKZXXBKKBD-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.12
Rot. Bonds3

About [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine

[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine (PubChem CID 117437284) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
PubChem CID117437284
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
SMILESCS(=O)(=O)c1ccc(Cl)cc1C1(CN)CCC1
InChIInChI=1S/C12H16ClNO2S/c1-17(15,16)11-4-3-9(13)7-10(11)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyJKNWMKZXXBKKBD-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
CID 117321165
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
CID 117391532
4-chloro-2-(1-isocyanatocyclopentyl)-1-methylsulfonylbenzene
CID 117482713
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
CID 117423583
[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117426781
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117393045
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine (CID 117437284) is [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine is CS(=O)(=O)c1ccc(Cl)cc1C1(CN)CCC1.
What is the InChIKey of [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine?
The InChIKey is JKNWMKZXXBKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-17(15,16)11-4-3-9(13)7-10(11)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine?
[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine has a molecular weight of 273.78 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117437284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).