methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate

C11H14N2O3S — CID 134258128

IUPACmethyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCS(=O)CC2)nc1
InChIInChI=1S/C11H14N2O3S/c1-16-11(14)9-2-3-10(12-8-9)13-4-6-17(15)7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyCNFPTSKQMOVSIS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.44
Rot. Bonds2

About methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate

methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate (PubChem CID 134258128) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
PubChem CID134258128
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCS(=O)CC2)nc1
InChIInChI=1S/C11H14N2O3S/c1-16-11(14)9-2-3-10(12-8-9)13-4-6-17(15)7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyCNFPTSKQMOVSIS-UHFFFAOYSA-N
XLogP0.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
CID 14987941
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543397
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
methyl 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyridine-3-carboxylate
CID 164688341
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
CID 126434233
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 54670763
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate (CID 134258128) is methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCS(=O)CC2)nc1.
What is the InChIKey of methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate?
The InChIKey is CNFPTSKQMOVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-11(14)9-2-3-10(12-8-9)13-4-6-17(15)7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate?
methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 134258128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).