1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine

C17H27NO2S — CID 104754194

IUPAC1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
SMILESCNC(CS(=O)(=O)Cc1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C17H27NO2S/c1-14-7-6-8-15(11-14)12-21(19,20)13-17(18-2)16-9-4-3-5-10-16/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3
InChIKeySFMRVYFJAUSCBD-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.08
Rot. Bonds6

About 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine

1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine (PubChem CID 104754194) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
PubChem CID104754194
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
SMILESCNC(CS(=O)(=O)Cc1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C17H27NO2S/c1-14-7-6-8-15(11-14)12-21(19,20)13-17(18-2)16-9-4-3-5-10-16/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3
InChIKeySFMRVYFJAUSCBD-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(3-methylphenyl)methylsulfonyl]butan-2-amine
CID 64675645
[1-cyclohexyl-3-(3-methylphenyl)propyl]hydrazine
CID 105282141
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine
CID 104754126
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-methyl-2-[(3-methylphenyl)methylsulfonyl]pentan-3-amine
CID 64675441
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 64674060
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 104753847
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
2-[(3-methylphenyl)methylsulfonyl]acetaldehyde
CID 66221981
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine (CID 104754194) is 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine is CNC(CS(=O)(=O)Cc1cccc(C)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
The InChIKey is SFMRVYFJAUSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-14-7-6-8-15(11-14)12-21(19,20)13-17(18-2)16-9-4-3-5-10-16/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine has a molecular weight of 309.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine is sourced from PubChem (CID 104754194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).