5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one

C12H15ClN2O4S — CID 74247889

IUPAC5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(=O)N2CCS(=O)(=O)CC2)c(C)c1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-7-9(11(16)14-8(2)10(7)13)12(17)15-3-5-20(18,19)6-4-15/h3-6H2,1-2H3,(H,14,16)
InChIKeyXITLPJYINACDRF-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.52
Rot. Bonds1

About 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one

5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 74247889) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID74247889
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(=O)N2CCS(=O)(=O)CC2)c(C)c1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-7-9(11(16)14-8(2)10(7)13)12(17)15-3-5-20(18,19)6-4-15/h3-6H2,1-2H3,(H,14,16)
InChIKeyXITLPJYINACDRF-UHFFFAOYSA-N
XLogP0.52
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one (CID 74247889) is 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(=O)N2CCS(=O)(=O)CC2)c(C)c1Cl.
What is the InChIKey of 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is XITLPJYINACDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-7-9(11(16)14-8(2)10(7)13)12(17)15-3-5-20(18,19)6-4-15/h3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 318.78 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 74247889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).