methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate

C13H17NO5S — CID 131987534

IUPACmethyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate
SMILESCCS(=O)(=O)c1cc2c(nc1C(=O)OC)CC(C)(C)O2
InChIInChI=1S/C13H17NO5S/c1-5-20(16,17)10-6-9-8(7-13(2,3)19-9)14-11(10)12(15)18-4/h6H,5,7H2,1-4H3
InChIKeyRHGYRHUWFHZGSG-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.38
Rot. Bonds3

About methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate

methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate (PubChem CID 131987534) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate
PubChem CID131987534
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namemethyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate
SMILESCCS(=O)(=O)c1cc2c(nc1C(=O)OC)CC(C)(C)O2
InChIInChI=1S/C13H17NO5S/c1-5-20(16,17)10-6-9-8(7-13(2,3)19-9)14-11(10)12(15)18-4/h6H,5,7H2,1-4H3
InChIKeyRHGYRHUWFHZGSG-UHFFFAOYSA-N
XLogP1.38
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
6-ethylsulfonyl-2,2-dimethyl-5-[7-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-3,4-diazabicyclo[5.1.0]octa-2,4-dien-2-yl]-3H-furo[3,2-b]pyridine
CID 148840813
methyl 3-ethylsulfonyl-5-(2-methylbut-3-yn-2-yl)pyridine-2-carboxylate
CID 167547749
methyl 6-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566406
methyl 5-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566507
methyl 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 59560140
methyl 4-(4-butanoyl-3,5-difluorophenoxy)-2,2-dimethyl-3H-1-benzofuran-6-carboxylate
CID 58146196
methyl 4-methoxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylate;methyl 6-methoxy-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 158390754
methyl 6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-methylsulfonylpyridine-2-carboxylate
CID 169261950
methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate
CID 174683823
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
CID 142688068

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate (CID 131987534) is methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate is CCS(=O)(=O)c1cc2c(nc1C(=O)OC)CC(C)(C)O2.
What is the InChIKey of methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate?
The InChIKey is RHGYRHUWFHZGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-5-20(16,17)10-6-9-8(7-13(2,3)19-9)14-11(10)12(15)18-4/h6H,5,7H2,1-4H3.
What are the key properties of methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate?
methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethylsulfonyl-2,2-dimethyl-3H-furo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 131987534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).