2-methylsulfonylpyrimidine-5-sulfinate

C5H5N2O4S2- — CID 19437474

IUPAC2-methylsulfonylpyrimidine-5-sulfinate
SMILESCS(=O)(=O)c1ncc(S(=O)[O-])cn1
InChIInChI=1S/C5H6N2O4S2/c1-13(10,11)5-6-2-4(3-7-5)12(8)9/h2-3H,1H3,(H,8,9)/p-1
InChIKeyHRQNEWMYSDNNAD-UHFFFAOYSA-M
MW221.24 g/mol
LogP-0.88
Rot. Bonds2

About 2-methylsulfonylpyrimidine-5-sulfinate

2-methylsulfonylpyrimidine-5-sulfinate (PubChem CID 19437474) has the molecular formula C5H5N2O4S2- and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-methylsulfonylpyrimidine-5-sulfinate.

Molecular Properties

Compound Name2-methylsulfonylpyrimidine-5-sulfinate
PubChem CID19437474
Molecular FormulaC5H5N2O4S2-
Molecular Weight221.24 g/mol
Exact Mass220.97
IUPAC Name2-methylsulfonylpyrimidine-5-sulfinate
SMILESCS(=O)(=O)c1ncc(S(=O)[O-])cn1
InChIInChI=1S/C5H6N2O4S2/c1-13(10,11)5-6-2-4(3-7-5)12(8)9/h2-3H,1H3,(H,8,9)/p-1
InChIKeyHRQNEWMYSDNNAD-UHFFFAOYSA-M
XLogP-0.88
TPSA100.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methylsulfonylpyrimidine-5-sulfinate 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-methylsulfonylpyrimidine-5-thiol
CID 75480815
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
5-ethenyl-2-methylsulfonylpyrimidine
CID 119084630
trifluoro-(2-methylsulfonylpyrimidin-5-yl)boranuide
CID 71464092
benzene-1,3,5-trisulfinate
CID 22598892
sodium 4-fluoro-3-methylsulfonylbenzenesulfinate
CID 130538011
lithium 5-methylpyrazine-2-sulfinate
CID 170898006
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
CID 84721428
2-bromo-5-methylsulfonylpyrimidine
CID 59406204
4-(methylsulfamoyl)benzenesulfinate
CID 156531858
6-(2-methylsulfonylpyrimidin-5-yl)hexanamide
CID 175811945
2-methylsulfonyl-8H-pyrimido[4,5-d]pyrimidin-7-one
CID 141021243

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpyrimidine-5-sulfinate?
The IUPAC name of 2-methylsulfonylpyrimidine-5-sulfinate (CID 19437474) is 2-methylsulfonylpyrimidine-5-sulfinate.
What is the SMILES notation for 2-methylsulfonylpyrimidine-5-sulfinate?
The canonical SMILES for 2-methylsulfonylpyrimidine-5-sulfinate is CS(=O)(=O)c1ncc(S(=O)[O-])cn1.
What is the InChIKey of 2-methylsulfonylpyrimidine-5-sulfinate?
The InChIKey is HRQNEWMYSDNNAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O4S2/c1-13(10,11)5-6-2-4(3-7-5)12(8)9/h2-3H,1H3,(H,8,9)/p-1.
What are the key properties of 2-methylsulfonylpyrimidine-5-sulfinate?
2-methylsulfonylpyrimidine-5-sulfinate has a molecular weight of 221.24 g/mol, XLogP of -0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpyrimidine-5-sulfinate is sourced from PubChem (CID 19437474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).