4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one

C11H14N2O3S — CID 136544920

IUPAC4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCS(=O)CC2)[nH]c(=O)c1
InChIInChI=1S/C11H14N2O3S/c1-8-6-9(12-10(14)7-8)11(15)13-2-4-17(16)5-3-13/h6-7H,2-5H2,1H3,(H,12,14)
InChIKeyGGFDECVVYIYEFH-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.11
Rot. Bonds1

About 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one

4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one (PubChem CID 136544920) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one
PubChem CID136544920
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCS(=O)CC2)[nH]c(=O)c1
InChIInChI=1S/C11H14N2O3S/c1-8-6-9(12-10(14)7-8)11(15)13-2-4-17(16)5-3-13/h6-7H,2-5H2,1H3,(H,12,14)
InChIKeyGGFDECVVYIYEFH-UHFFFAOYSA-N
XLogP-0.11
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one (CID 136544920) is 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one is Cc1cc(C(=O)N2CCS(=O)CC2)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is GGFDECVVYIYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8-6-9(12-10(14)7-8)11(15)13-2-4-17(16)5-3-13/h6-7H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one?
4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one has a molecular weight of 254.31 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-oxo-1,4-thiazinane-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 136544920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).