1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid

C11H21N3O5S — CID 60858940

IUPAC1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
SMILESCCN(CC(=O)NC)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21N3O5S/c1-3-13(8-10(15)12-2)20(18,19)14-7-5-4-6-9(14)11(16)17/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyRSLMGORLTSQPEF-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.76
Rot. Bonds6

About 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid

1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60858940) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60858940
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
SMILESCCN(CC(=O)NC)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21N3O5S/c1-3-13(8-10(15)12-2)20(18,19)14-7-5-4-6-9(14)11(16)17/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyRSLMGORLTSQPEF-UHFFFAOYSA-N
XLogP-0.76
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069672
1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857593
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62640696
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid (CID 60858940) is 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid is CCN(CC(=O)NC)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is RSLMGORLTSQPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-3-13(8-10(15)12-2)20(18,19)14-7-5-4-6-9(14)11(16)17/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid?
1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60858940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).