potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate

C9H11KN2O4S — CID 25072807

IUPACpotassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
SMILESO=C(NCCCS(=O)(=O)[O-])c1cccnc1.[K+]
InChIInChI=1S/C9H12N2O4S.K/c12-9(8-3-1-4-10-7-8)11-5-2-6-16(13,14)15;/h1,3-4,7H,2,5-6H2,(H,11,12)(H,13,14,15);/q;+1/p-1
InChIKeyWFNJSSZNDZQWOJ-UHFFFAOYSA-M
MW282.36 g/mol
LogP-3.25
Rot. Bonds5

About potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate

potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate (PubChem CID 25072807) has the molecular formula C9H11KN2O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate.

Molecular Properties

Compound Namepotassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
PubChem CID25072807
Molecular FormulaC9H11KN2O4S
Molecular Weight282.36 g/mol
Exact Mass282.01
IUPAC Namepotassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
SMILESO=C(NCCCS(=O)(=O)[O-])c1cccnc1.[K+]
InChIInChI=1S/C9H12N2O4S.K/c12-9(8-3-1-4-10-7-8)11-5-2-6-16(13,14)15;/h1,3-4,7H,2,5-6H2,(H,11,12)(H,13,14,15);/q;+1/p-1
InChIKeyWFNJSSZNDZQWOJ-UHFFFAOYSA-M
XLogP-3.25
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-3.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883

Frequently Asked Questions

What is the IUPAC name of potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate?
The IUPAC name of potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate (CID 25072807) is potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate.
What is the SMILES notation for potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate?
The canonical SMILES for potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate is O=C(NCCCS(=O)(=O)[O-])c1cccnc1.[K+].
What is the InChIKey of potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate?
The InChIKey is WFNJSSZNDZQWOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O4S.K/c12-9(8-3-1-4-10-7-8)11-5-2-6-16(13,14)15;/h1,3-4,7H,2,5-6H2,(H,11,12)(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate?
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate has a molecular weight of 282.36 g/mol, XLogP of -3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate is sourced from PubChem (CID 25072807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).