[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine

C15H23NO3S — CID 64673615

IUPAC[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H23NO3S/c1-19-15-8-7-12(10-16)9-13(15)11-20(17,18)14-5-3-2-4-6-14/h7-9,14H,2-6,10-11,16H2,1H3
InChIKeyJYKFCQUSHVTFQU-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.40
Rot. Bonds5

About [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine

[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine (PubChem CID 64673615) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
PubChem CID64673615
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H23NO3S/c1-19-15-8-7-12(10-16)9-13(15)11-20(17,18)14-5-3-2-4-6-14/h7-9,14H,2-6,10-11,16H2,1H3
InChIKeyJYKFCQUSHVTFQU-UHFFFAOYSA-N
XLogP2.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
CID 64673614
[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
CID 64696603
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
[4-methoxy-3-(oxolan-2-ylmethylsulfonylmethyl)phenyl]methanamine
CID 106496038
[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
CID 64646888
[3-(benzylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64646753
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
CID 64626991
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine (CID 64673615) is [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CS(=O)(=O)C1CCCCC1.
What is the InChIKey of [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine?
The InChIKey is JYKFCQUSHVTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-19-15-8-7-12(10-16)9-13(15)11-20(17,18)14-5-3-2-4-6-14/h7-9,14H,2-6,10-11,16H2,1H3.
What are the key properties of [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine?
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 64673615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).