(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

C13H19N3O4S2 — CID 155505815

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O4S2/c1-10-11(12(17)15-4-8-22(18,19)9-5-15)21-13(14-10)16-2-6-20-7-3-16/h2-9H2,1H3
InChIKeyPLDXEYLMYYGAPJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.16
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone (PubChem CID 155505815) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
PubChem CID155505815
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O4S2/c1-10-11(12(17)15-4-8-22(18,19)9-5-15)21-13(14-10)16-2-6-20-7-3-16/h2-9H2,1H3
InChIKeyPLDXEYLMYYGAPJ-UHFFFAOYSA-N
XLogP0.16
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone (CID 155505815) is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone is Cc1nc(N2CCOCC2)sc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is PLDXEYLMYYGAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c1-10-11(12(17)15-4-8-22(18,19)9-5-15)21-13(14-10)16-2-6-20-7-3-16/h2-9H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 155505815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).