[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine

C15H23NO3S — CID 117479118

IUPAC[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)cccc1S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-19-14-12(7-6-8-13(14)20(2,17)18)15(11-16)9-4-3-5-10-15/h6-8H,3-5,9-11,16H2,1-2H3
InChIKeyVKGAXTHQSMFXIX-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.26
Rot. Bonds4

About [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine

[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine (PubChem CID 117479118) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
PubChem CID117479118
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)cccc1S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-19-14-12(7-6-8-13(14)20(2,17)18)15(11-16)9-4-3-5-10-15/h6-8H,3-5,9-11,16H2,1-2H3
InChIKeyVKGAXTHQSMFXIX-UHFFFAOYSA-N
XLogP2.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxy-6-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117426781
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
N-[2-[1-(aminomethyl)cyclohexyl]phenyl]-N-methylmethanesulfonamide
CID 117477808
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine (CID 117479118) is [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine is COc1c(C2(CN)CCCCC2)cccc1S(C)(=O)=O.
What is the InChIKey of [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine?
The InChIKey is VKGAXTHQSMFXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-19-14-12(7-6-8-13(14)20(2,17)18)15(11-16)9-4-3-5-10-15/h6-8H,3-5,9-11,16H2,1-2H3.
What are the key properties of [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine?
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117479118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).