(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

C11H18N4O3S — CID 102885632

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCS(=O)(=O)CC2C)n[nH]1
InChIInChI=1S/C11H18N4O3S/c1-7(2)9-12-10(14-13-9)11(16)15-4-5-19(17,18)6-8(15)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeySXYYICGEUPJABM-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.19
Rot. Bonds2

About (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 102885632) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID102885632
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCS(=O)(=O)CC2C)n[nH]1
InChIInChI=1S/C11H18N4O3S/c1-7(2)9-12-10(14-13-9)11(16)15-4-5-19(17,18)6-8(15)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeySXYYICGEUPJABM-UHFFFAOYSA-N
XLogP0.19
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (CID 102885632) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is CC(C)c1nc(C(=O)N2CCS(=O)(=O)CC2C)n[nH]1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is SXYYICGEUPJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7(2)9-12-10(14-13-9)11(16)15-4-5-19(17,18)6-8(15)3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 286.36 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 102885632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).