1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid

C14H28N2O4S — CID 60859421

IUPAC1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H28N2O4S/c1-13(2,3)10-14(4,5)15-21(19,20)16-9-7-6-8-11(16)12(17)18/h11,15H,6-10H2,1-5H3,(H,17,18)
InChIKeyYFHRIKDWQHYVEG-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.97
Rot. Bonds5

About 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid

1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 60859421) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID60859421
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H28N2O4S/c1-13(2,3)10-14(4,5)15-21(19,20)16-9-7-6-8-11(16)12(17)18/h11,15H,6-10H2,1-5H3,(H,17,18)
InChIKeyYFHRIKDWQHYVEG-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107864789
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79561600
1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
CID 107151259
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid (CID 60859421) is 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid is CC(C)(C)CC(C)(C)NS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is YFHRIKDWQHYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-13(2,3)10-14(4,5)15-21(19,20)16-9-7-6-8-11(16)12(17)18/h11,15H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 60859421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).