1-sulfamoylpiperazine-2-carboxylic acid

C5H11N3O4S — CID 114959379

IUPAC1-sulfamoylpiperazine-2-carboxylic acid
SMILESNS(=O)(=O)N1CCNCC1C(=O)O
InChIInChI=1S/C5H11N3O4S/c6-13(11,12)8-2-1-7-3-4(8)5(9)10/h4,7H,1-3H2,(H,9,10)(H2,6,11,12)
InChIKeyDMLOVUSHQSLMOZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP-2.45
Rot. Bonds2

About 1-sulfamoylpiperazine-2-carboxylic acid

1-sulfamoylpiperazine-2-carboxylic acid (PubChem CID 114959379) has the molecular formula C5H11N3O4S and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-sulfamoylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-sulfamoylpiperazine-2-carboxylic acid
PubChem CID114959379
Molecular FormulaC5H11N3O4S
Molecular Weight209.23 g/mol
Exact Mass209.05
IUPAC Name1-sulfamoylpiperazine-2-carboxylic acid
SMILESNS(=O)(=O)N1CCNCC1C(=O)O
InChIInChI=1S/C5H11N3O4S/c6-13(11,12)8-2-1-7-3-4(8)5(9)10/h4,7H,1-3H2,(H,9,10)(H2,6,11,12)
InChIKeyDMLOVUSHQSLMOZ-UHFFFAOYSA-N
XLogP-2.45
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine-2-carboxylic acid
CID 2723758
Piperazine-2-carboxylic acid dihydrochloride
CID 2723757
4-(Carboxymethyl)piperazine-2-carboxylic acid
CID 13491863
(R)-Piperazine-2-carboxylic acid
CID 6558437
(2S)-piperazine-2-carboxylic acid dihydrochloride
CID 2734260
4-Ethylpiperazine-2-carboxylic acid
CID 17919893
(R)-Piperazine-2-carboxylic acid hydrochloride
CID 49864520
(S)-Piperazine-2-carboxylic acid hydrochloride
CID 49864521
1-Ethylpiperazine-2-carboxylic acid
CID 52911181
(R)-piperazine-2-carboxylate
CID 44602443
(S)-piperazine-2-carboxylate
CID 53262291
(S)-(-)piperazine-2-carboxylic acid
CID 1502069

Frequently Asked Questions

What is the IUPAC name of 1-sulfamoylpiperazine-2-carboxylic acid?
The IUPAC name of 1-sulfamoylpiperazine-2-carboxylic acid (CID 114959379) is 1-sulfamoylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-sulfamoylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-sulfamoylpiperazine-2-carboxylic acid is NS(=O)(=O)N1CCNCC1C(=O)O.
What is the InChIKey of 1-sulfamoylpiperazine-2-carboxylic acid?
The InChIKey is DMLOVUSHQSLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O4S/c6-13(11,12)8-2-1-7-3-4(8)5(9)10/h4,7H,1-3H2,(H,9,10)(H2,6,11,12).
What are the key properties of 1-sulfamoylpiperazine-2-carboxylic acid?
1-sulfamoylpiperazine-2-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of -2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylpiperazine-2-carboxylic acid is sourced from PubChem (CID 114959379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).