1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C10H14N2O3S2 — CID 72891334

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C10H14N2O3S2/c1-8-11-9(7-16-8)6-10(13)12-2-4-17(14,15)5-3-12/h7H,2-6H2,1H3
InChIKeySEVOMLKCOPOINM-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.25
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 72891334) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID72891334
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C10H14N2O3S2/c1-8-11-9(7-16-8)6-10(13)12-2-4-17(14,15)5-3-12/h7H,2-6H2,1H3
InChIKeySEVOMLKCOPOINM-UHFFFAOYSA-N
XLogP0.25
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 72891334) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCS(=O)(=O)CC2)cs1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is SEVOMLKCOPOINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-8-11-9(7-16-8)6-10(13)12-2-4-17(14,15)5-3-12/h7H,2-6H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 72891334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).