3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride

C10H24Cl2FN3O2S — CID 119994508

IUPAC3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(CCCF)NCCCN1CCNCC1
InChIInChI=1S/C10H22FN3O2S.2ClH/c11-3-1-10-17(15,16)13-4-2-7-14-8-5-12-6-9-14;;/h12-13H,1-10H2;2*1H
InChIKeyHCNIKUCOZYCIKP-UHFFFAOYSA-N
MW340.29 g/mol
LogP0.40
Rot. Bonds8

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

3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride (PubChem CID 119994508) has the molecular formula C10H24Cl2FN3O2S and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
PubChem CID119994508
Molecular FormulaC10H24Cl2FN3O2S
Molecular Weight340.29 g/mol
Exact Mass339.10
IUPAC Name3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(CCCF)NCCCN1CCNCC1
InChIInChI=1S/C10H22FN3O2S.2ClH/c11-3-1-10-17(15,16)13-4-2-7-14-8-5-12-6-9-14;;/h12-13H,1-10H2;2*1H
InChIKeyHCNIKUCOZYCIKP-UHFFFAOYSA-N
XLogP0.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 50.40
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

4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
CID 119994700
3-(1,3-dioxoisoindol-2-yl)-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide
CID 120706456
N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
CID 119994489
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 62992029
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 61250445
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
1-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994415

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride?
The IUPAC name of 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride (CID 119994508) is 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride?
The canonical SMILES for 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(CCCF)NCCCN1CCNCC1.
What is the InChIKey of 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride?
The InChIKey is HCNIKUCOZYCIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN3O2S.2ClH/c11-3-1-10-17(15,16)13-4-2-7-14-8-5-12-6-9-14;;/h12-13H,1-10H2;2*1H.
What are the key properties of 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride?
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride has a molecular weight of 340.29 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 119994508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).