1-(cyanosulfamoyl)piperidine-2-carboxylic acid

C7H11N3O4S — CID 79194973

IUPAC1-(cyanosulfamoyl)piperidine-2-carboxylic acid
SMILESN#CNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C7H11N3O4S/c8-5-9-15(13,14)10-4-2-1-3-6(10)7(11)12/h6,9H,1-4H2,(H,11,12)
InChIKeyRRUCTEWHRPLEEB-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.76
Rot. Bonds3

About 1-(cyanosulfamoyl)piperidine-2-carboxylic acid

1-(cyanosulfamoyl)piperidine-2-carboxylic acid (PubChem CID 79194973) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(cyanosulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyanosulfamoyl)piperidine-2-carboxylic acid
PubChem CID79194973
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name1-(cyanosulfamoyl)piperidine-2-carboxylic acid
SMILESN#CNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C7H11N3O4S/c8-5-9-15(13,14)10-4-2-1-3-6(10)7(11)12/h6,9H,1-4H2,(H,11,12)
InChIKeyRRUCTEWHRPLEEB-UHFFFAOYSA-N
XLogP-0.76
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946
1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857593
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
1-(morpholin-4-ylsulfamoyl)piperidine-2-carboxylic acid
CID 83005622
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270

Frequently Asked Questions

What is the IUPAC name of 1-(cyanosulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(cyanosulfamoyl)piperidine-2-carboxylic acid (CID 79194973) is 1-(cyanosulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyanosulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyanosulfamoyl)piperidine-2-carboxylic acid is N#CNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(cyanosulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is RRUCTEWHRPLEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c8-5-9-15(13,14)10-4-2-1-3-6(10)7(11)12/h6,9H,1-4H2,(H,11,12).
What are the key properties of 1-(cyanosulfamoyl)piperidine-2-carboxylic acid?
1-(cyanosulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanosulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79194973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).