2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide

C14H25N3O2S — CID 16788421

IUPAC2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-17(4-2)11-7-10-16-20(18,19)14-9-6-5-8-13(14)12-15/h5-6,8-9,16H,3-4,7,10-12,15H2,1-2H3
InChIKeyQFZWYGBCEIZFCS-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.16
Rot. Bonds9

About 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide

2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide (PubChem CID 16788421) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
PubChem CID16788421
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-17(4-2)11-7-10-16-20(18,19)14-9-6-5-8-13(14)12-15/h5-6,8-9,16H,3-4,7,10-12,15H2,1-2H3
InChIKeyQFZWYGBCEIZFCS-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(diethylamino)propylsulfamoyl]benzenecarbothioamide
CID 29269755
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide
CID 170254747
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide (CID 16788421) is 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide?
The InChIKey is QFZWYGBCEIZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-17(4-2)11-7-10-16-20(18,19)14-9-6-5-8-13(14)12-15/h5-6,8-9,16H,3-4,7,10-12,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide?
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 16788421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).