3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid

C12H24N2O4S — CID 43362077

IUPAC3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
SMILESCC1CCN(CCCNS(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-11-3-8-14(9-4-11)7-2-6-13-19(17,18)10-5-12(15)16/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyHLFFYCOWSZVQGF-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.50
Rot. Bonds8

About 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid

3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid (PubChem CID 43362077) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
PubChem CID43362077
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
SMILESCC1CCN(CCCNS(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-11-3-8-14(9-4-11)7-2-6-13-19(17,18)10-5-12(15)16/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyHLFFYCOWSZVQGF-UHFFFAOYSA-N
XLogP0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.50
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-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
CID 61241260
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
CID 58659564
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275
3-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]propanoic acid
CID 60855399
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388017
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
CID 104859624
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 35418237

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid?
The IUPAC name of 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid (CID 43362077) is 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid is CC1CCN(CCCNS(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid?
The InChIKey is HLFFYCOWSZVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-11-3-8-14(9-4-11)7-2-6-13-19(17,18)10-5-12(15)16/h11,13H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid?
3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid is sourced from PubChem (CID 43362077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).