N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide

C15H36N4O2S — CID 88877324

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C15H36N4O2S/c1-2-3-6-15-22(20,21)19-14-8-13-18-11-5-4-10-17-12-7-9-16/h17-19H,2-16H2,1H3
InChIKeyYXMAHXLEDOQUMA-UHFFFAOYSA-N
MW336.55 g/mol
LogP0.79
Rot. Bonds17

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide (PubChem CID 88877324) has the molecular formula C15H36N4O2S and a molecular weight of 336.55 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
PubChem CID88877324
Molecular FormulaC15H36N4O2S
Molecular Weight336.55 g/mol
Exact Mass336.26
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C15H36N4O2S/c1-2-3-6-15-22(20,21)19-14-8-13-18-11-5-4-10-17-12-7-9-16/h17-19H,2-16H2,1H3
InChIKeyYXMAHXLEDOQUMA-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 50.79
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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Related Compounds

N'-(3-aminopropyl)-N-propylbutane-1,4-diamine;N-[3-[3-(ethylamino)propyl-[3-(nonylsulfonylamino)propyl]amino]propyl]nonane-1-sulfonamide
CID 158628684
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-decylbutane-1-sulfonamide
CID 19681427
N-octadecylpropane-1-sulfonamide
CID 88827291
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
CID 175374912
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
CID 106335894
N'-pentyltridecane-1,13-diamine
CID 174397381

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide (CID 88877324) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide is CCCCCS(=O)(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide?
The InChIKey is YXMAHXLEDOQUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4O2S/c1-2-3-6-15-22(20,21)19-14-8-13-18-11-5-4-10-17-12-7-9-16/h17-19H,2-16H2,1H3.
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide has a molecular weight of 336.55 g/mol, XLogP of 0.79, 17 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]pentane-1-sulfonamide is sourced from PubChem (CID 88877324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).