4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O3S — CID 136865948

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCS(=O)(=O)CC2C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3S/c1-8(2)12-13-10(6-11(16)14-12)15-4-5-19(17,18)7-9(15)3/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyUKOXAHVYQPCASI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.52
Rot. Bonds2

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136865948) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136865948
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCS(=O)(=O)CC2C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3S/c1-8(2)12-13-10(6-11(16)14-12)15-4-5-19(17,18)7-9(15)3/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyUKOXAHVYQPCASI-UHFFFAOYSA-N
XLogP0.52
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136865948) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCS(=O)(=O)CC2C)cc(=O)[nH]1.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UKOXAHVYQPCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)12-13-10(6-11(16)14-12)15-4-5-19(17,18)7-9(15)3/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,16).
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 285.37 g/mol, XLogP of 0.52, 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)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136865948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).