methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate

C11H23N3O4S — CID 61458394

IUPACmethyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H23N3O4S/c1-18-11(15)3-10-19(16,17)13-4-2-7-14-8-5-12-6-9-14/h12-13H,2-10H2,1H3
InChIKeyGIBLRSDWHWSDSE-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.24
Rot. Bonds8

About methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate

methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate (PubChem CID 61458394) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
PubChem CID61458394
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Namemethyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H23N3O4S/c1-18-11(15)3-10-19(16,17)13-4-2-7-14-8-5-12-6-9-14/h12-13H,2-10H2,1H3
InChIKeyGIBLRSDWHWSDSE-UHFFFAOYSA-N
XLogP-1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
CID 119994700
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
CID 114461831
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
CID 43362077
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate (CID 61458394) is methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NCCCN1CCNCC1.
What is the InChIKey of methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate?
The InChIKey is GIBLRSDWHWSDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-18-11(15)3-10-19(16,17)13-4-2-7-14-8-5-12-6-9-14/h12-13H,2-10H2,1H3.
What are the key properties of methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate?
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate has a molecular weight of 293.39 g/mol, XLogP of -1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate is sourced from PubChem (CID 61458394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).