1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid

C12H24N2O6S — CID 79538536

IUPAC1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCOC(CNS(=O)(=O)N1CCC(C(=O)O)CC1)OCC
InChIInChI=1S/C12H24N2O6S/c1-3-19-11(20-4-2)9-13-21(17,18)14-7-5-10(6-8-14)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyRARWJAXHMKBJEU-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.02
Rot. Bonds9

About 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid

1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 79538536) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID79538536
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Name1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCOC(CNS(=O)(=O)N1CCC(C(=O)O)CC1)OCC
InChIInChI=1S/C12H24N2O6S/c1-3-19-11(20-4-2)9-13-21(17,18)14-7-5-10(6-8-14)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyRARWJAXHMKBJEU-UHFFFAOYSA-N
XLogP0.02
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid (CID 79538536) is 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid is CCOC(CNS(=O)(=O)N1CCC(C(=O)O)CC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is RARWJAXHMKBJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-3-19-11(20-4-2)9-13-21(17,18)14-7-5-10(6-8-14)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid?
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79538536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).