4-pyridin-2-ylpiperazine-1-sulfonic acid

C9H13N3O3S — CID 142758233

IUPAC4-pyridin-2-ylpiperazine-1-sulfonic acid
SMILESO=S(=O)(O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C9H13N3O3S/c13-16(14,15)12-7-5-11(6-8-12)9-3-1-2-4-10-9/h1-4H,5-8H2,(H,13,14,15)
InChIKeyYAWZHWVBYHCJNR-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.01
Rot. Bonds2

About 4-pyridin-2-ylpiperazine-1-sulfonic acid

4-pyridin-2-ylpiperazine-1-sulfonic acid (PubChem CID 142758233) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-pyridin-2-ylpiperazine-1-sulfonic acid.

Molecular Properties

Compound Name4-pyridin-2-ylpiperazine-1-sulfonic acid
PubChem CID142758233
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-pyridin-2-ylpiperazine-1-sulfonic acid
SMILESO=S(=O)(O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C9H13N3O3S/c13-16(14,15)12-7-5-11(6-8-12)9-3-1-2-4-10-9/h1-4H,5-8H2,(H,13,14,15)
InChIKeyYAWZHWVBYHCJNR-UHFFFAOYSA-N
XLogP0.01
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 167750740
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
CID 86818361

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylpiperazine-1-sulfonic acid?
The IUPAC name of 4-pyridin-2-ylpiperazine-1-sulfonic acid (CID 142758233) is 4-pyridin-2-ylpiperazine-1-sulfonic acid.
What is the SMILES notation for 4-pyridin-2-ylpiperazine-1-sulfonic acid?
The canonical SMILES for 4-pyridin-2-ylpiperazine-1-sulfonic acid is O=S(=O)(O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-ylpiperazine-1-sulfonic acid?
The InChIKey is YAWZHWVBYHCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-16(14,15)12-7-5-11(6-8-12)9-3-1-2-4-10-9/h1-4H,5-8H2,(H,13,14,15).
What are the key properties of 4-pyridin-2-ylpiperazine-1-sulfonic acid?
4-pyridin-2-ylpiperazine-1-sulfonic acid has a molecular weight of 243.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylpiperazine-1-sulfonic acid is sourced from PubChem (CID 142758233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).