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

C8H11N3O4S — CID 135186696

IUPAC2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C8H11N3O4S/c1-16(14,15)10-7(12)5-11-4-2-3-6(9)8(11)13/h2-4H,5,9H2,1H3,(H,10,12)
InChIKeyRHIIPQKSFWIDHP-UHFFFAOYSA-N
MW245.26 g/mol
LogP-1.49
Rot. Bonds3

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

2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide (PubChem CID 135186696) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide
PubChem CID135186696
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C8H11N3O4S/c1-16(14,15)10-7(12)5-11-4-2-3-6(9)8(11)13/h2-4H,5,9H2,1H3,(H,10,12)
InChIKeyRHIIPQKSFWIDHP-UHFFFAOYSA-N
XLogP-1.49
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-1.49
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-methylsulfonylacetamide?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide (CID 135186696) is 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)Cn1cccc(N)c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide?
The InChIKey is RHIIPQKSFWIDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-16(14,15)10-7(12)5-11-4-2-3-6(9)8(11)13/h2-4H,5,9H2,1H3,(H,10,12).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide?
2-(3-amino-2-oxo-1-pyridinyl)-N-methylsulfonylacetamide has a molecular weight of 245.26 g/mol, XLogP of -1.49, 3 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-methylsulfonylacetamide is sourced from PubChem (CID 135186696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).