methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate

C9H12N2O3S — CID 125425019

IUPACmethyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
SMILESCN=[S@@](C)(=O)c1ncccc1C(=O)OC
InChIInChI=1S/C9H12N2O3S/c1-10-15(3,13)8-7(9(12)14-2)5-4-6-11-8/h4-6H,1-3H3/t15-/m0/s1
InChIKeyOVIJWESLXQQAKH-HNNXBMFYSA-N
MW228.27 g/mol
LogP0.95
Rot. Bonds2

About methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate

methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate (PubChem CID 125425019) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
PubChem CID125425019
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
SMILESCN=[S@@](C)(=O)c1ncccc1C(=O)OC
InChIInChI=1S/C9H12N2O3S/c1-10-15(3,13)8-7(9(12)14-2)5-4-6-11-8/h4-6H,1-3H3/t15-/m0/s1
InChIKeyOVIJWESLXQQAKH-HNNXBMFYSA-N
XLogP0.95
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 67044506
methyl 2-methylpyridine-3-carboxylate
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CID 174704345
CID 87392386
CID 87392386
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
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cyclohexane;methyl 2-chloropyridine-3-carboxylate
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(prop-1-en-2-ylamino) 2-sulfamoylpyridine-3-carboxylate
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CID 141197629
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate (CID 125425019) is methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate is CN=[S@@](C)(=O)c1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate?
The InChIKey is OVIJWESLXQQAKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-10-15(3,13)8-7(9(12)14-2)5-4-6-11-8/h4-6H,1-3H3/t15-/m0/s1.
What are the key properties of methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate?
methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate is sourced from PubChem (CID 125425019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).