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

C14H25N5O2S — CID 133419746

IUPAC4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCS(=O)(=O)C(C)(C)C2)n1
InChIInChI=1S/C14H25N5O2S/c1-10(2)11-15-12(18(5)6)17-13(16-11)19-7-8-22(20,21)14(3,4)9-19/h10H,7-9H2,1-6H3
InChIKeyWVWSKNHRKOZNQT-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.07
Rot. Bonds3

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

4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133419746) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133419746
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC Name4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCS(=O)(=O)C(C)(C)C2)n1
InChIInChI=1S/C14H25N5O2S/c1-10(2)11-15-12(18(5)6)17-13(16-11)19-7-8-22(20,21)14(3,4)9-19/h10H,7-9H2,1-6H3
InChIKeyWVWSKNHRKOZNQT-UHFFFAOYSA-N
XLogP1.07
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133419746) is 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCS(=O)(=O)C(C)(C)C2)n1.
What is the InChIKey of 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is WVWSKNHRKOZNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-10(2)11-15-12(18(5)6)17-13(16-11)19-7-8-22(20,21)14(3,4)9-19/h10H,7-9H2,1-6H3.
What are the key properties of 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 327.45 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133419746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).