1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid

C9H17N3O5S — CID 43552619

IUPAC1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H17N3O5S/c10-18(16,17)5-3-11-9(15)12-4-1-2-7(6-12)8(13)14/h7H,1-6H2,(H,11,15)(H,13,14)(H2,10,16,17)
InChIKeyNWTSIJAXSWBSOQ-UHFFFAOYSA-N
MW279.32 g/mol
LogP-1.22
Rot. Bonds4

About 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid

1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 43552619) has the molecular formula C9H17N3O5S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID43552619
Molecular FormulaC9H17N3O5S
Molecular Weight279.32 g/mol
Exact Mass279.09
IUPAC Name1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H17N3O5S/c10-18(16,17)5-3-11-9(15)12-4-1-2-7(6-12)8(13)14/h7H,1-6H2,(H,11,15)(H,13,14)(H2,10,16,17)
InChIKeyNWTSIJAXSWBSOQ-UHFFFAOYSA-N
XLogP-1.22
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid (CID 43552619) is 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid is NS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is NWTSIJAXSWBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5S/c10-18(16,17)5-3-11-9(15)12-4-1-2-7(6-12)8(13)14/h7H,1-6H2,(H,11,15)(H,13,14)(H2,10,16,17).
What are the key properties of 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfamoylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43552619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).