3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid

C11H22N2O4S — CID 61241260

IUPAC3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
SMILESCC1CCN(CCNS(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-10-2-6-13(7-3-10)8-5-12-18(16,17)9-4-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyQTYBBORNCBYXKQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.11
Rot. Bonds7

About 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid

3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid (PubChem CID 61241260) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
PubChem CID61241260
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
SMILESCC1CCN(CCNS(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-10-2-6-13(7-3-10)8-5-12-18(16,17)9-4-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyQTYBBORNCBYXKQ-UHFFFAOYSA-N
XLogP0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
CID 43362077
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
CID 58659564
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
3-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]propanoic acid
CID 60855399
N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
CID 111111504
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 100613768
methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid (CID 61241260) is 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid is CC1CCN(CCNS(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid?
The InChIKey is QTYBBORNCBYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-10-2-6-13(7-3-10)8-5-12-18(16,17)9-4-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid?
3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 61241260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).