1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid

C11H23N3O4S — CID 62640696

IUPAC1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESCCN(C)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H23N3O4S/c1-3-13(2)9-7-12-19(17,18)14-8-5-4-6-10(14)11(15)16/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyZQBNAPVGAHALNA-UHFFFAOYSA-N
MW293.39 g/mol
LogP-0.29
Rot. Bonds7

About 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid

1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 62640696) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID62640696
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESCCN(C)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H23N3O4S/c1-3-13(2)9-7-12-19(17,18)14-8-5-4-6-10(14)11(15)16/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyZQBNAPVGAHALNA-UHFFFAOYSA-N
XLogP-0.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid (CID 62640696) is 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid is CCN(C)CCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is ZQBNAPVGAHALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-13(2)9-7-12-19(17,18)14-8-5-4-6-10(14)11(15)16/h10,12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 62640696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).