2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid

C11H13N3O5S — CID 62034595

IUPAC2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H13N3O5S/c15-10(16)6-9-11(17)13-4-5-14(9)20(18,19)8-2-1-3-12-7-8/h1-3,7,9H,4-6H2,(H,13,17)(H,15,16)
InChIKeyKCLHMEVQZQAACM-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.95
Rot. Bonds4

About 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid

2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid (PubChem CID 62034595) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
PubChem CID62034595
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H13N3O5S/c15-10(16)6-9-11(17)13-4-5-14(9)20(18,19)8-2-1-3-12-7-8/h1-3,7,9H,4-6H2,(H,13,17)(H,15,16)
InChIKeyKCLHMEVQZQAACM-UHFFFAOYSA-N
XLogP-0.95
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 40933027
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 45494569
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 39350148
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid (CID 62034595) is 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid is O=C(O)CC1C(=O)NCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid?
The InChIKey is KCLHMEVQZQAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c15-10(16)6-9-11(17)13-4-5-14(9)20(18,19)8-2-1-3-12-7-8/h1-3,7,9H,4-6H2,(H,13,17)(H,15,16).
What are the key properties of 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid?
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid has a molecular weight of 299.31 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 62034595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).