1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid

C9H18N4O5S — CID 83116927

IUPAC1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESNC(=O)NCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H18N4O5S/c10-9(16)11-4-5-12-19(17,18)13-6-2-1-3-7(13)8(14)15/h7,12H,1-6H2,(H,14,15)(H3,10,11,16)
InChIKeySNNCICFDYBWRSX-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.57
Rot. Bonds6

About 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid

1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 83116927) has the molecular formula C9H18N4O5S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID83116927
Molecular FormulaC9H18N4O5S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC Name1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESNC(=O)NCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C9H18N4O5S/c10-9(16)11-4-5-12-19(17,18)13-6-2-1-3-7(13)8(14)15/h7,12H,1-6H2,(H,14,15)(H3,10,11,16)
InChIKeySNNCICFDYBWRSX-UHFFFAOYSA-N
XLogP-1.57
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(carbamoylamino)hexanoic Acid
CID 4868353
6-Amino-2-[(2-aminoacetyl)amino]hexanoic acid;sulfuric acid
CID 306143
(2S)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512811
(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 20638341
(2S)-6-amino-2-[(2-piperazin-1-ylacetyl)amino]hexanoic acid
CID 21967325
1-(Ethylcarbamoyl)piperidine-2-carboxylic acid
CID 22056667
1-(Pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 22128946
(R)-1-Ethylcarbamoylpiperidine-2-carboxylic acid
CID 54508361
1-(Pentylcarbamoyl)piperidine-2-carboxylic acid
CID 61180982
1-(Piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 61405661
2,6-diaminohexanoic acid;(3S)-3-ethyl-4-methylpiperazine-1-carboxamide
CID 70090084
(2S)-2,6-diaminohexanoic acid;piperazine-2,3-dione
CID 70185036

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid (CID 83116927) is 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid is NC(=O)NCCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is SNNCICFDYBWRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O5S/c10-9(16)11-4-5-12-19(17,18)13-6-2-1-3-7(13)8(14)15/h7,12H,1-6H2,(H,14,15)(H3,10,11,16).
What are the key properties of 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid?
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 83116927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).