5-amino-2-(5-aminopentylamino)benzenesulfonic acid

C11H19N3O3S — CID 54305899

IUPAC5-amino-2-(5-aminopentylamino)benzenesulfonic acid
SMILESNCCCCCNc1ccc(N)cc1S(=O)(=O)O
InChIInChI=1S/C11H19N3O3S/c12-6-2-1-3-7-14-10-5-4-9(13)8-11(10)18(15,16)17/h4-5,8,14H,1-3,6-7,12-13H2,(H,15,16,17)
InChIKeySHLWYTWTAOXXKC-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.06
Rot. Bonds7

About 5-amino-2-(5-aminopentylamino)benzenesulfonic acid

5-amino-2-(5-aminopentylamino)benzenesulfonic acid (PubChem CID 54305899) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-amino-2-(5-aminopentylamino)benzenesulfonic acid.

Molecular Properties

Compound Name5-amino-2-(5-aminopentylamino)benzenesulfonic acid
PubChem CID54305899
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name5-amino-2-(5-aminopentylamino)benzenesulfonic acid
SMILESNCCCCCNc1ccc(N)cc1S(=O)(=O)O
InChIInChI=1S/C11H19N3O3S/c12-6-2-1-3-7-14-10-5-4-9(13)8-11(10)18(15,16)17/h4-5,8,14H,1-3,6-7,12-13H2,(H,15,16,17)
InChIKeySHLWYTWTAOXXKC-UHFFFAOYSA-N
XLogP1.06
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-amino-2-(5-aminopentylamino)benzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-amino-2-(4-aminobutylamino)phenyl]sulfonylethanesulfonic acid
CID 21285173
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
2-[3-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propylsulfonyl]ethanol
CID 121356188
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
2-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
5-amino-2-[2-(4-amino-2-sulfophenyl)ethyl]benzenesulfonic acid
CID 5134319
N'-[2-(difluoromethylsulfonyl)phenyl]hexane-1,6-diamine
CID 107844931
5-amino-2-(2-methylanilino)benzenesulfonic acid
CID 53423153
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-aminopentylamino)benzenesulfonic acid?
The IUPAC name of 5-amino-2-(5-aminopentylamino)benzenesulfonic acid (CID 54305899) is 5-amino-2-(5-aminopentylamino)benzenesulfonic acid.
What is the SMILES notation for 5-amino-2-(5-aminopentylamino)benzenesulfonic acid?
The canonical SMILES for 5-amino-2-(5-aminopentylamino)benzenesulfonic acid is NCCCCCNc1ccc(N)cc1S(=O)(=O)O.
What is the InChIKey of 5-amino-2-(5-aminopentylamino)benzenesulfonic acid?
The InChIKey is SHLWYTWTAOXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-6-2-1-3-7-14-10-5-4-9(13)8-11(10)18(15,16)17/h4-5,8,14H,1-3,6-7,12-13H2,(H,15,16,17).
What are the key properties of 5-amino-2-(5-aminopentylamino)benzenesulfonic acid?
5-amino-2-(5-aminopentylamino)benzenesulfonic acid has a molecular weight of 273.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-aminopentylamino)benzenesulfonic acid is sourced from PubChem (CID 54305899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).