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

C11H16N2O3S2 — CID 77090670

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc(C)sc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H16N2O3S2/c1-3-9-10(17-8(2)12-9)11(14)13-4-6-18(15,16)7-5-13/h3-7H2,1-2H3
InChIKeyLDMVKBZUTWDCBT-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.88
Rot. Bonds2

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

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 77090670) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID77090670
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc(C)sc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H16N2O3S2/c1-3-9-10(17-8(2)12-9)11(14)13-4-6-18(15,16)7-5-13/h3-7H2,1-2H3
InChIKeyLDMVKBZUTWDCBT-UHFFFAOYSA-N
XLogP0.88
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone (CID 77090670) is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone is CCc1nc(C)sc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LDMVKBZUTWDCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-3-9-10(17-8(2)12-9)11(14)13-4-6-18(15,16)7-5-13/h3-7H2,1-2H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 77090670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).