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

C11H14N2O4S — CID 63883208

IUPAC4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCS(=O)(=O)CC2)ccn1
InChIInChI=1S/C11H14N2O4S/c14-11(15)10-7-9(1-2-12-10)8-13-3-5-18(16,17)6-4-13/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyUGWAXNSDOKYRBA-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.01
Rot. Bonds3

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

4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63883208) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63883208
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCS(=O)(=O)CC2)ccn1
InChIInChI=1S/C11H14N2O4S/c14-11(15)10-7-9(1-2-12-10)8-13-3-5-18(16,17)6-4-13/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyUGWAXNSDOKYRBA-UHFFFAOYSA-N
XLogP0.01
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136733801
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63881276
4-(1,4-oxazepan-4-ylmethyl)pyridine-2-carboxylic acid
CID 63884770
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883219
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetic acid
CID 105345699
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75470875
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide
CID 146125687
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883370
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883800

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid (CID 63883208) is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(CN2CCS(=O)(=O)CC2)ccn1.
What is the InChIKey of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is UGWAXNSDOKYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-11(15)10-7-9(1-2-12-10)8-13-3-5-18(16,17)6-4-13/h1-2,7H,3-6,8H2,(H,14,15).
What are the key properties of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid?
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).