methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate

C9H10N2O6S — CID 67749491

IUPACmethyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate
SMILESCOC(=O)Oc1ccc(C(=O)NS(C)(=O)=O)cn1
InChIInChI=1S/C9H10N2O6S/c1-16-9(13)17-7-4-3-6(5-10-7)8(12)11-18(2,14)15/h3-5H,1-2H3,(H,11,12)
InChIKeyDPUXFRBHZQKVMU-UHFFFAOYSA-N
MW274.25 g/mol
LogP-0.08
Rot. Bonds3

About methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate

methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate (PubChem CID 67749491) has the molecular formula C9H10N2O6S and a molecular weight of 274.25 g/mol. Its IUPAC name is methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate.

Molecular Properties

Compound Namemethyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate
PubChem CID67749491
Molecular FormulaC9H10N2O6S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC Namemethyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate
SMILESCOC(=O)Oc1ccc(C(=O)NS(C)(=O)=O)cn1
InChIInChI=1S/C9H10N2O6S/c1-16-9(13)17-7-4-3-6(5-10-7)8(12)11-18(2,14)15/h3-5H,1-2H3,(H,11,12)
InChIKeyDPUXFRBHZQKVMU-UHFFFAOYSA-N
XLogP-0.08
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749385
[5-[[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749573
N-methylsulfonylpyridazine-4-carboxamide
CID 130725112
ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749124
ethyl [5-(4-phenylbutylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749458
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
[5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentan-3-yl carbonate
CID 67749317
[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749394
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749212
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
pentan-3-yl [5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749243

Frequently Asked Questions

What is the IUPAC name of methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
The IUPAC name of methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate (CID 67749491) is methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate.
What is the SMILES notation for methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
The canonical SMILES for methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate is COC(=O)Oc1ccc(C(=O)NS(C)(=O)=O)cn1.
What is the InChIKey of methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
The InChIKey is DPUXFRBHZQKVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6S/c1-16-9(13)17-7-4-3-6(5-10-7)8(12)11-18(2,14)15/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate has a molecular weight of 274.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate is sourced from PubChem (CID 67749491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).