3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C14H22N2O3S — CID 79551523

IUPAC3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(CCN)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-14(2,20(3,18)19)10-16-13(17)12-6-4-5-11(9-12)7-8-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyLLMOBAYTQCUYNE-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.74
Rot. Bonds6

About 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide

3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79551523) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79551523
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(CCN)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-14(2,20(3,18)19)10-16-13(17)12-6-4-5-11(9-12)7-8-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyLLMOBAYTQCUYNE-UHFFFAOYSA-N
XLogP0.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 106333123
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903
3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79556235
3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 62594019
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416397
methyl 3-(2-aminoethyl)benzoate
CID 10511548
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79551523) is 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1cccc(CCN)c1)S(C)(=O)=O.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is LLMOBAYTQCUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,20(3,18)19)10-16-13(17)12-6-4-5-11(9-12)7-8-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79551523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).