1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid

C14H28N2O4S — CID 60859412

IUPAC1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)CN(CC)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H28N2O4S/c1-4-12(5-2)10-15(6-3)21(19,20)16-9-7-8-13(11-16)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyCOBUALWUGMAQNC-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.79
Rot. Bonds8

About 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid

1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60859412) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60859412
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)CN(CC)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H28N2O4S/c1-4-12(5-2)10-15(6-3)21(19,20)16-9-7-8-13(11-16)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyCOBUALWUGMAQNC-UHFFFAOYSA-N
XLogP1.79
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60859412) is 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid is CCC(CC)CN(CC)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is COBUALWUGMAQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-12(5-2)10-15(6-3)21(19,20)16-9-7-8-13(11-16)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60859412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).