5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid

C10H11N3O5S — CID 107435224

IUPAC5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C1CN(S(=O)(=O)c2cccnc2)C(C(=O)O)CN1
InChIInChI=1S/C10H11N3O5S/c14-9-6-13(8(5-12-9)10(15)16)19(17,18)7-2-1-3-11-4-7/h1-4,8H,5-6H2,(H,12,14)(H,15,16)
InChIKeyNHNFYKMOKIWLNK-UHFFFAOYSA-N
MW285.28 g/mol
LogP-1.34
Rot. Bonds3

About 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid

5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid (PubChem CID 107435224) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
PubChem CID107435224
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C1CN(S(=O)(=O)c2cccnc2)C(C(=O)O)CN1
InChIInChI=1S/C10H11N3O5S/c14-9-6-13(8(5-12-9)10(15)16)19(17,18)7-2-1-3-11-4-7/h1-4,8H,5-6H2,(H,12,14)(H,15,16)
InChIKeyNHNFYKMOKIWLNK-UHFFFAOYSA-N
XLogP-1.34
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595
1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435552
5-oxo-1-prop-2-enylsulfonylpiperazine-2-carboxylic acid
CID 107435376
1-(2-methylpropylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435503
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107435221
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
5-(pyridin-3-ylsulfonylamino)piperidine-3-carboxylic acid
CID 69069584

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid (CID 107435224) is 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid is O=C1CN(S(=O)(=O)c2cccnc2)C(C(=O)O)CN1.
What is the InChIKey of 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid?
The InChIKey is NHNFYKMOKIWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-9-6-13(8(5-12-9)10(15)16)19(17,18)7-2-1-3-11-4-7/h1-4,8H,5-6H2,(H,12,14)(H,15,16).
What are the key properties of 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid?
5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 107435224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).