N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide

C16H30N4O2S — CID 10154478

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide
SMILESNCCCNCCCCNCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H30N4O2S/c17-10-6-13-18-11-4-5-12-19-14-7-15-20-23(21,22)16-8-2-1-3-9-16/h1-3,8-9,18-20H,4-7,10-15,17H2
InChIKeyYQNRVPMNPAPDBS-UHFFFAOYSA-N
MW342.51 g/mol
LogP0.66
Rot. Bonds14

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide (PubChem CID 10154478) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide
PubChem CID10154478
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide
SMILESNCCCNCCCCNCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H30N4O2S/c17-10-6-13-18-11-4-5-12-19-14-7-15-20-23(21,22)16-8-2-1-3-9-16/h1-3,8-9,18-20H,4-7,10-15,17H2
InChIKeyYQNRVPMNPAPDBS-UHFFFAOYSA-N
XLogP0.66
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide (CID 10154478) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide is NCCCNCCCCNCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide?
The InChIKey is YQNRVPMNPAPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c17-10-6-13-18-11-4-5-12-19-14-7-15-20-23(21,22)16-8-2-1-3-9-16/h1-3,8-9,18-20H,4-7,10-15,17H2.
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 0.66, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 10154478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).