N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride

C12H22Cl2N4O2S — CID 119994569

IUPACN-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)c1cccnc1
InChIInChI=1S/C12H20N4O2S.2ClH/c17-19(18,12-3-1-4-14-11-12)15-5-2-8-16-9-6-13-7-10-16;;/h1,3-4,11,13,15H,2,5-10H2;2*1H
InChIKeyWUUWNXCJJYVMHY-UHFFFAOYSA-N
MW357.31 g/mol
LogP0.50
Rot. Bonds6

About N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride

N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride (PubChem CID 119994569) has the molecular formula C12H22Cl2N4O2S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
PubChem CID119994569
Molecular FormulaC12H22Cl2N4O2S
Molecular Weight357.31 g/mol
Exact Mass356.08
IUPAC NameN-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)c1cccnc1
InChIInChI=1S/C12H20N4O2S.2ClH/c17-19(18,12-3-1-4-14-11-12)15-5-2-8-16-9-6-13-7-10-16;;/h1,3-4,11,13,15H,2,5-10H2;2*1H
InChIKeyWUUWNXCJJYVMHY-UHFFFAOYSA-N
XLogP0.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
CID 55819973
1-benzyl-N-(3-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;dihydrochloride
CID 119994455
4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994818
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994662
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride (CID 119994569) is N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCCN1CCNCC1)c1cccnc1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride?
The InChIKey is WUUWNXCJJYVMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S.2ClH/c17-19(18,12-3-1-4-14-11-12)15-5-2-8-16-9-6-13-7-10-16;;/h1,3-4,11,13,15H,2,5-10H2;2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride has a molecular weight of 357.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride is sourced from PubChem (CID 119994569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).