1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid

C11H16N2O5S — CID 63858504

IUPAC1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid
SMILESCC(C)(Cn1cc(C(=O)O)ccc1=O)NS(C)(=O)=O
InChIInChI=1S/C11H16N2O5S/c1-11(2,12-19(3,17)18)7-13-6-8(10(15)16)4-5-9(13)14/h4-6,12H,7H2,1-3H3,(H,15,16)
InChIKeyQBRVJZTVOOMUSI-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.13
Rot. Bonds5

About 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid

1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 63858504) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid
PubChem CID63858504
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid
SMILESCC(C)(Cn1cc(C(=O)O)ccc1=O)NS(C)(=O)=O
InChIInChI=1S/C11H16N2O5S/c1-11(2,12-19(3,17)18)7-13-6-8(10(15)16)4-5-9(13)14/h4-6,12H,7H2,1-3H3,(H,15,16)
InChIKeyQBRVJZTVOOMUSI-UHFFFAOYSA-N
XLogP-0.13
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid (CID 63858504) is 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid is CC(C)(Cn1cc(C(=O)O)ccc1=O)NS(C)(=O)=O.
What is the InChIKey of 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is QBRVJZTVOOMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-11(2,12-19(3,17)18)7-13-6-8(10(15)16)4-5-9(13)14/h4-6,12H,7H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid?
1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63858504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).