methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate

C9H12N2O5S — CID 43629008

IUPACmethyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O5S/c1-11(6-9(13)16-2)17(14,15)7-3-4-8(12)10-5-7/h3-5H,6H2,1-2H3,(H,10,12)
InChIKeyHZFBSDNXGLLLKZ-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.83
Rot. Bonds4

About methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate

methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate (PubChem CID 43629008) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate
PubChem CID43629008
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Namemethyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O5S/c1-11(6-9(13)16-2)17(14,15)7-3-4-8(12)10-5-7/h3-5H,6H2,1-2H3,(H,10,12)
InChIKeyHZFBSDNXGLLLKZ-UHFFFAOYSA-N
XLogP-0.83
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate (CID 43629008) is methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate is COC(=O)CN(C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate?
The InChIKey is HZFBSDNXGLLLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-11(6-9(13)16-2)17(14,15)7-3-4-8(12)10-5-7/h3-5H,6H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate?
methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate has a molecular weight of 260.27 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetate is sourced from PubChem (CID 43629008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).