1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid

C11H19N3O4S — CID 54876717

IUPAC1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4S/c1-2-13(7-3-6-12)19(17,18)14-8-4-10(5-9-14)11(15)16/h10H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyCMVXHFZZSUOPTL-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.26
Rot. Bonds6

About 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid

1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 54876717) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID54876717
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4S/c1-2-13(7-3-6-12)19(17,18)14-8-4-10(5-9-14)11(15)16/h10H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyCMVXHFZZSUOPTL-UHFFFAOYSA-N
XLogP0.26
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 54876717) is 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid is CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is CMVXHFZZSUOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-2-13(7-3-6-12)19(17,18)14-8-4-10(5-9-14)11(15)16/h10H,2-5,7-9H2,1H3,(H,15,16).
What are the key properties of 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54876717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).