2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide

C9H13N3O4S — CID 135186820

IUPAC2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide
SMILESCCS(=O)(=O)NC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C9H13N3O4S/c1-2-17(15,16)11-8(13)6-12-5-3-4-7(10)9(12)14/h3-5H,2,6,10H2,1H3,(H,11,13)
InChIKeyCQCGGJNUHISMBQ-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.10
Rot. Bonds4

About 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide

2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide (PubChem CID 135186820) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide
PubChem CID135186820
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide
SMILESCCS(=O)(=O)NC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C9H13N3O4S/c1-2-17(15,16)11-8(13)6-12-5-3-4-7(10)9(12)14/h3-5H,2,6,10H2,1H3,(H,11,13)
InChIKeyCQCGGJNUHISMBQ-UHFFFAOYSA-N
XLogP-1.10
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide (CID 135186820) is 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide is CCS(=O)(=O)NC(=O)Cn1cccc(N)c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide?
The InChIKey is CQCGGJNUHISMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-17(15,16)11-8(13)6-12-5-3-4-7(10)9(12)14/h3-5H,2,6,10H2,1H3,(H,11,13).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide?
2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide has a molecular weight of 259.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)-N-ethylsulfonylacetamide is sourced from PubChem (CID 135186820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).