N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine

C14H23NO2S — CID 114984191

IUPACN-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
SMILESCNC(CCc1ccccc1C)CCS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-12-6-4-5-7-13(12)8-9-14(15-2)10-11-18(3,16)17/h4-7,14-15H,8-11H2,1-3H3
InChIKeyVKCVLZVERNPSLU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.95
Rot. Bonds7

About N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine

N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine (PubChem CID 114984191) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
PubChem CID114984191
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
SMILESCNC(CCc1ccccc1C)CCS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-12-6-4-5-7-13(12)8-9-14(15-2)10-11-18(3,16)17/h4-7,14-15H,8-11H2,1-3H3
InChIKeyVKCVLZVERNPSLU-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105165085
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
CID 105138690
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 63528467

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine (CID 114984191) is N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine is CNC(CCc1ccccc1C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine?
The InChIKey is VKCVLZVERNPSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12-6-4-5-7-13(12)8-9-14(15-2)10-11-18(3,16)17/h4-7,14-15H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine?
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine is sourced from PubChem (CID 114984191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).