4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid

C11H14N2O4S — CID 102883871

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4S/c1-8-7-18(16,17)5-4-13(8)9-2-3-12-10(6-9)11(14)15/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyMOOLHJRSMNCKJT-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.40
Rot. Bonds2

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid (PubChem CID 102883871) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
PubChem CID102883871
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4S/c1-8-7-18(16,17)5-4-13(8)9-2-3-12-10(6-9)11(14)15/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyMOOLHJRSMNCKJT-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

(4-chloro-2-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113239864
1-[2-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 102883913
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882565
2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102884585
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
5-fluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzoic acid
CID 102884312
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine
CID 103001963
(2-hydrazinyl-4-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886398
(E)-3-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]prop-2-enoic acid
CID 102884957
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid (CID 102883871) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid is CC1CS(=O)(=O)CCN1c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The InChIKey is MOOLHJRSMNCKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8-7-18(16,17)5-4-13(8)9-2-3-12-10(6-9)11(14)15/h2-3,6,8H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
4-(3-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 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 102883871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).