1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid

C11H19N3O4S — CID 62647758

IUPAC1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCC(CC#N)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4S/c1-2-10(3-6-12)13-19(17,18)14-7-4-9(5-8-14)11(15)16/h9-10,13H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyIBCJXHLZXPTULI-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.31
Rot. Bonds6

About 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid

1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 62647758) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID62647758
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESCCC(CC#N)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4S/c1-2-10(3-6-12)13-19(17,18)14-7-4-9(5-8-14)11(15)16/h9-10,13H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyIBCJXHLZXPTULI-UHFFFAOYSA-N
XLogP0.31
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4,4-Trifluorobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 105928905
1-(Methylsulfamoyl)piperidine-4-carboxylic acid
CID 60859532
(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
CID 70945957
2-Amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
CID 70945959
(2S)-2-amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid
CID 174670417
2-Amino-4-[piperidin-4-ylmethyl(sulfamoyl)amino]butanoic acid
CID 174670418
4-[(4-Methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28783609
(2R)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28784006
(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 28784010
(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 28784012
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 28784016
(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 28784147

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid (CID 62647758) is 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid is CCC(CC#N)NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is IBCJXHLZXPTULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-2-10(3-6-12)13-19(17,18)14-7-4-9(5-8-14)11(15)16/h9-10,13H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 62647758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).