1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid

C11H20N2O6S — CID 115917661

IUPAC1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c1-3-12(4-2)20(18,19)13-6-5-8(10(14)15)9(7-13)11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLHFHNAVRNDWUPW-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.32
Rot. Bonds6

About 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid

1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115917661) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
PubChem CID115917661
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c1-3-12(4-2)20(18,19)13-6-5-8(10(14)15)9(7-13)11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLHFHNAVRNDWUPW-UHFFFAOYSA-N
XLogP-0.32
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 79031251
N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114501631
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198043
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
N,N-diethyl-3-hydroxyazetidine-1-sulfonamide
CID 63106993
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859412
3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 115744998
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid (CID 115917661) is 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid is CCN(CC)S(=O)(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is LHFHNAVRNDWUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-3-12(4-2)20(18,19)13-6-5-8(10(14)15)9(7-13)11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid?
1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 308.36 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115917661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).