4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide

C14H22N2O3S — CID 119325198

IUPAC4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16(3)14(17)13-7-5-12(9-15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyNTMRPXLSFRPCFC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.04
Rot. Bonds6

About 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide

4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide (PubChem CID 119325198) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
PubChem CID119325198
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16(3)14(17)13-7-5-12(9-15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyNTMRPXLSFRPCFC-UHFFFAOYSA-N
XLogP1.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 95625359
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 56805506
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
CID 95625344
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide (CID 119325198) is 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide is CCS(=O)(=O)CC(C)N(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
The InChIKey is NTMRPXLSFRPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16(3)14(17)13-7-5-12(9-15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 119325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).