2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid

C11H22N2O4S — CID 106631065

IUPAC2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
SMILESCCN(CC1CCCNC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-13(8-10-5-4-6-12-7-10)18(16,17)9(2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyZAGHZUNOQJBMES-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.11
Rot. Bonds6

About 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid

2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid (PubChem CID 106631065) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
PubChem CID106631065
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
SMILESCCN(CC1CCCNC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-13(8-10-5-4-6-12-7-10)18(16,17)9(2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyZAGHZUNOQJBMES-UHFFFAOYSA-N
XLogP0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
CID 106631107
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631308
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
2-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylhexanamide
CID 106628997
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101618
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid (CID 106631065) is 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid is CCN(CC1CCCNC1)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid?
The InChIKey is ZAGHZUNOQJBMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-13(8-10-5-4-6-12-7-10)18(16,17)9(2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid?
2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 106631065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).