6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid

C11H14N2O4S — CID 122054919

IUPAC6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
SMILESCC1CN(c2cccc(C(=O)O)n2)CCS1(=O)=O
InChIInChI=1S/C11H14N2O4S/c1-8-7-13(5-6-18(8,16)17)10-4-2-3-9(12-10)11(14)15/h2-4,8H,5-7H2,1H3,(H,14,15)
InChIKeyPFDTZVJRWIOESO-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.40
Rot. Bonds2

About 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid

6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid (PubChem CID 122054919) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
PubChem CID122054919
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
SMILESCC1CN(c2cccc(C(=O)O)n2)CCS1(=O)=O
InChIInChI=1S/C11H14N2O4S/c1-8-7-13(5-6-18(8,16)17)10-4-2-3-9(12-10)11(14)15/h2-4,8H,5-7H2,1H3,(H,14,15)
InChIKeyPFDTZVJRWIOESO-UHFFFAOYSA-N
XLogP0.40
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid
CID 167953738
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[(3S,4S)-3-carboxy-4-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122063960
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid (CID 122054919) is 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid is CC1CN(c2cccc(C(=O)O)n2)CCS1(=O)=O.
What is the InChIKey of 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The InChIKey is PFDTZVJRWIOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8-7-13(5-6-18(8,16)17)10-4-2-3-9(12-10)11(14)15/h2-4,8H,5-7H2,1H3,(H,14,15).
What are the key properties of 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122054919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).