2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

C13H20N2O4S — CID 75461902

IUPAC2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCC(C)CCS(=O)(=O)CC(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H20N2O4S/c1-10(2)6-7-20(18,19)9-12(16)14-11-4-5-13(17)15(3)8-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyWVOMIGIGNGQRIA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.78
Rot. Bonds6

About 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 75461902) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
PubChem CID75461902
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCC(C)CCS(=O)(=O)CC(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H20N2O4S/c1-10(2)6-7-20(18,19)9-12(16)14-11-4-5-13(17)15(3)8-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyWVOMIGIGNGQRIA-UHFFFAOYSA-N
XLogP0.78
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (CID 75461902) is 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is CC(C)CCS(=O)(=O)CC(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is WVOMIGIGNGQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)6-7-20(18,19)9-12(16)14-11-4-5-13(17)15(3)8-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 75461902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).