2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride

C13H31Cl2N3O2S — CID 119994700

IUPAC2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
SMILESCCC(CC)CS(=O)(=O)NCCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C13H29N3O2S.2ClH/c1-3-13(4-2)12-19(17,18)15-6-5-9-16-10-7-14-8-11-16;;/h13-15H,3-12H2,1-2H3;2*1H
InChIKeyIABQEXALYHAAGH-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.48
Rot. Bonds9

About 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride

2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride (PubChem CID 119994700) has the molecular formula C13H31Cl2N3O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
PubChem CID119994700
Molecular FormulaC13H31Cl2N3O2S
Molecular Weight364.38 g/mol
Exact Mass363.15
IUPAC Name2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
SMILESCCC(CC)CS(=O)(=O)NCCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C13H29N3O2S.2ClH/c1-3-13(4-2)12-19(17,18)15-6-5-9-16-10-7-14-8-11-16;;/h13-15H,3-12H2,1-2H3;2*1H
InChIKeyIABQEXALYHAAGH-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 120583763
N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
CID 119994489
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
1-[3-[bis(3-methylbutyl)sulfamoylamino]propyl]piperazine;dihydrochloride
CID 119994783
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
CID 114461831

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride?
The IUPAC name of 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride (CID 119994700) is 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride?
The canonical SMILES for 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride is CCC(CC)CS(=O)(=O)NCCCN1CCNCC1.Cl.Cl.
What is the InChIKey of 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride?
The InChIKey is IABQEXALYHAAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S.2ClH/c1-3-13(4-2)12-19(17,18)15-6-5-9-16-10-7-14-8-11-16;;/h13-15H,3-12H2,1-2H3;2*1H.
What are the key properties of 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride?
2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride has a molecular weight of 364.38 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 119994700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).