4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

C13H23N3O2S — CID 82945013

IUPAC4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H23N3O2S/c1-11(10-16(2)3)15-19(17,18)13-6-4-12(5-7-13)8-9-14/h4-7,11,15H,8-10,14H2,1-3H3
InChIKeyJGHLCVQABZCUGM-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.42
Rot. Bonds7

About 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (PubChem CID 82945013) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
PubChem CID82945013
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H23N3O2S/c1-11(10-16(2)3)15-19(17,18)13-6-4-12(5-7-13)8-9-14/h4-7,11,15H,8-10,14H2,1-3H3
InChIKeyJGHLCVQABZCUGM-UHFFFAOYSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
4-amino-N-[(2R)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]propan-2-yl]benzenesulfonamide
CID 122387466
N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106074311
4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945076

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (CID 82945013) is 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is CC(CN(C)C)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The InChIKey is JGHLCVQABZCUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11(10-16(2)3)15-19(17,18)13-6-4-12(5-7-13)8-9-14/h4-7,11,15H,8-10,14H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 82945013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).