2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide

C14H25N3O3S — CID 106308340

IUPAC2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCCCOCCN
InChIInChI=1S/C14H25N3O3S/c1-2-9-17-21(18,19)14-7-4-3-6-13(14)16-10-5-11-20-12-8-15/h3-4,6-7,16-17H,2,5,8-12,15H2,1H3
InChIKeyFOEPDVSAWRUWRR-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.15
Rot. Bonds11

About 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide

2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide (PubChem CID 106308340) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
PubChem CID106308340
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCCCOCCN
InChIInChI=1S/C14H25N3O3S/c1-2-9-17-21(18,19)14-7-4-3-6-13(14)16-10-5-11-20-12-8-15/h3-4,6-7,16-17H,2,5,8-12,15H2,1H3
InChIKeyFOEPDVSAWRUWRR-UHFFFAOYSA-N
XLogP1.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
CID 106245938
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide (CID 106308340) is 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NCCCOCCN.
What is the InChIKey of 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide?
The InChIKey is FOEPDVSAWRUWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-2-9-17-21(18,19)14-7-4-3-6-13(14)16-10-5-11-20-12-8-15/h3-4,6-7,16-17H,2,5,8-12,15H2,1H3.
What are the key properties of 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide?
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.15, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 106308340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).