1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid

C10H14N4O4S — CID 60857593

IUPAC1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESN#CCN(CC#N)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H14N4O4S/c11-4-7-13(8-5-12)19(17,18)14-6-2-1-3-9(14)10(15)16/h9H,1-3,6-8H2,(H,15,16)
InChIKeyAGQYQDRYWIVDPG-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.48
Rot. Bonds5

About 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid

1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60857593) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60857593
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESN#CCN(CC#N)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H14N4O4S/c11-4-7-13(8-5-12)19(17,18)14-6-2-1-3-9(14)10(15)16/h9H,1-3,6-8H2,(H,15,16)
InChIKeyAGQYQDRYWIVDPG-UHFFFAOYSA-N
XLogP-0.48
TPSA125.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069672
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60858940
1-(cyanosulfamoyl)piperidine-2-carboxylic acid
CID 79194973
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163

Frequently Asked Questions

What is the IUPAC name of 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid (CID 60857593) is 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid is N#CCN(CC#N)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is AGQYQDRYWIVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c11-4-7-13(8-5-12)19(17,18)14-6-2-1-3-9(14)10(15)16/h9H,1-3,6-8H2,(H,15,16).
What are the key properties of 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60857593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).