5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine

C15H25NO2S — CID 65095703

IUPAC5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cc1ccccc1C)NC
InChIInChI=1S/C15H25NO2S/c1-4-19(17,18)11-7-10-15(16-3)12-14-9-6-5-8-13(14)2/h5-6,8-9,15-16H,4,7,10-12H2,1-3H3
InChIKeyFQPIIANAESNVJP-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.34
Rot. Bonds8

About 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine

5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine (PubChem CID 65095703) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
PubChem CID65095703
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cc1ccccc1C)NC
InChIInChI=1S/C15H25NO2S/c1-4-19(17,18)11-7-10-15(16-3)12-14-9-6-5-8-13(14)2/h5-6,8-9,15-16H,4,7,10-12H2,1-3H3
InChIKeyFQPIIANAESNVJP-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 65098146
5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 65096002
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine (CID 65095703) is 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine is CCS(=O)(=O)CCCC(Cc1ccccc1C)NC.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine?
The InChIKey is FQPIIANAESNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-19(17,18)11-7-10-15(16-3)12-14-9-6-5-8-13(14)2/h5-6,8-9,15-16H,4,7,10-12H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine?
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine is sourced from PubChem (CID 65095703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).