4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H19N5O3S — CID 102887749

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C11H19N5O3S/c1-7(2)19-11-14-9(12)13-10(15-11)16-4-5-20(17,18)6-8(16)3/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyRYNZVHDHWFCFJJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.14
Rot. Bonds3

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 102887749) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID102887749
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C11H19N5O3S/c1-7(2)19-11-14-9(12)13-10(15-11)16-4-5-20(17,18)6-8(16)3/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyRYNZVHDHWFCFJJ-UHFFFAOYSA-N
XLogP-0.14
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine 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)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 102887749) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is RYNZVHDHWFCFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-7(2)19-11-14-9(12)13-10(15-11)16-4-5-20(17,18)6-8(16)3/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 301.37 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 102887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).