N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride

C10H23Cl2N3O2S — CID 119994489

IUPACN-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)C1CC1
InChIInChI=1S/C10H21N3O2S.2ClH/c14-16(15,10-2-3-10)12-4-1-7-13-8-5-11-6-9-13;;/h10-12H,1-9H2;2*1H
InChIKeyILZYNAWZCICBOV-UHFFFAOYSA-N
MW320.29 g/mol
LogP0.21
Rot. Bonds6

About N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride

N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride (PubChem CID 119994489) has the molecular formula C10H23Cl2N3O2S and a molecular weight of 320.29 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
PubChem CID119994489
Molecular FormulaC10H23Cl2N3O2S
Molecular Weight320.29 g/mol
Exact Mass319.09
IUPAC NameN-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)C1CC1
InChIInChI=1S/C10H21N3O2S.2ClH/c14-16(15,10-2-3-10)12-4-1-7-13-8-5-11-6-9-13;;/h10-12H,1-9H2;2*1H
InChIKeyILZYNAWZCICBOV-UHFFFAOYSA-N
XLogP0.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
CID 119994700
N-(2-morpholin-4-ylethyl)pyrrolidine-3-sulfonamide
CID 65421126
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
1-[3-[bis(3-methylbutyl)sulfamoylamino]propyl]piperazine;dihydrochloride
CID 119994783
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686
1-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]piperazine
CID 119966185
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 62992029
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride (CID 119994489) is N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCCN1CCNCC1)C1CC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride?
The InChIKey is ILZYNAWZCICBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.2ClH/c14-16(15,10-2-3-10)12-4-1-7-13-8-5-11-6-9-13;;/h10-12H,1-9H2;2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride has a molecular weight of 320.29 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride is sourced from PubChem (CID 119994489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).