2-(2-aminoethyl)-N-propylsulfonylbenzamide

C12H18N2O3S — CID 103307395

IUPAC2-(2-aminoethyl)-N-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)NC(=O)c1ccccc1CCN
InChIInChI=1S/C12H18N2O3S/c1-2-9-18(16,17)14-12(15)11-6-4-3-5-10(11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyGMBWAMDADNCWAA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.66
Rot. Bonds6

About 2-(2-aminoethyl)-N-propylsulfonylbenzamide

2-(2-aminoethyl)-N-propylsulfonylbenzamide (PubChem CID 103307395) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-propylsulfonylbenzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-propylsulfonylbenzamide
PubChem CID103307395
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-aminoethyl)-N-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)NC(=O)c1ccccc1CCN
InChIInChI=1S/C12H18N2O3S/c1-2-9-18(16,17)14-12(15)11-6-4-3-5-10(11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyGMBWAMDADNCWAA-UHFFFAOYSA-N
XLogP0.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-aminoethyl)phenyl]-3-propylsulfonylpropan-1-one
CID 106736494
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
2-propylbenzohydrazide
CID 140653675
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-propylsulfonylbenzamide?
The IUPAC name of 2-(2-aminoethyl)-N-propylsulfonylbenzamide (CID 103307395) is 2-(2-aminoethyl)-N-propylsulfonylbenzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-propylsulfonylbenzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-propylsulfonylbenzamide is CCCS(=O)(=O)NC(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-propylsulfonylbenzamide?
The InChIKey is GMBWAMDADNCWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-9-18(16,17)14-12(15)11-6-4-3-5-10(11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminoethyl)-N-propylsulfonylbenzamide?
2-(2-aminoethyl)-N-propylsulfonylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-propylsulfonylbenzamide is sourced from PubChem (CID 103307395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).