potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate

C8H9KN2O3S — CID 139621076

IUPACpotassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate
SMILESCN(C)C(=O)c1cccnc1S(=O)[O-].[K+]
InChIInChI=1S/C8H10N2O3S.K/c1-10(2)8(11)6-4-3-5-9-7(6)14(12)13;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyDLOQEOJBHMQKAD-UHFFFAOYSA-M
MW252.34 g/mol
LogP-2.97
Rot. Bonds2

About potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate

potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate (PubChem CID 139621076) has the molecular formula C8H9KN2O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate.

Molecular Properties

Compound Namepotassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate
PubChem CID139621076
Molecular FormulaC8H9KN2O3S
Molecular Weight252.34 g/mol
Exact Mass252.00
IUPAC Namepotassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate
SMILESCN(C)C(=O)c1cccnc1S(=O)[O-].[K+]
InChIInChI=1S/C8H10N2O3S.K/c1-10(2)8(11)6-4-3-5-9-7(6)14(12)13;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyDLOQEOJBHMQKAD-UHFFFAOYSA-M
XLogP-2.97
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(sulfonylamino)pyridine-3-carboxamide
CID 141318752
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride
CID 139015622
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
[3-(dimethylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 154017837
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-(6-methoxy-3-pyridinyl)-N,N-dimethylpyridine-3-carboxamide
CID 122569110
2-formamido-N,N-dimethylbenzamide
CID 64992505
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
4-(dimethylcarbamoyl)benzenesulfinate
CID 69119645
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453

Frequently Asked Questions

What is the IUPAC name of potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate?
The IUPAC name of potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate (CID 139621076) is potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate.
What is the SMILES notation for potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate?
The canonical SMILES for potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate is CN(C)C(=O)c1cccnc1S(=O)[O-].[K+].
What is the InChIKey of potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate?
The InChIKey is DLOQEOJBHMQKAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3S.K/c1-10(2)8(11)6-4-3-5-9-7(6)14(12)13;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate?
potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate has a molecular weight of 252.34 g/mol, XLogP of -2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate is sourced from PubChem (CID 139621076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).